benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate

C26H35N5O7 — CID 4528753

IUPACbenzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C26H35N5O7/c1-16(2)13-18(23(34)28-14-21(27)32)29-24(35)19-9-6-12-30(19)25(36)20-10-11-22(33)31(20)26(37)38-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-20H,6,9-15H2,1-2H3,(H2,27,32)(H,28,34)(H,29,35)
InChIKeyHRVQCZHXPPIHCQ-UHFFFAOYSA-N
MW529.59 g/mol
LogP0.44
Rot. Bonds10

About benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate

benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 4528753) has the molecular formula C26H35N5O7 and a molecular weight of 529.59 g/mol. Its IUPAC name is benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID4528753
Molecular FormulaC26H35N5O7
Molecular Weight529.59 g/mol
Exact Mass529.25
IUPAC Namebenzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C26H35N5O7/c1-16(2)13-18(23(34)28-14-21(27)32)29-24(35)19-9-6-12-30(19)25(36)20-10-11-22(33)31(20)26(37)38-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-20H,6,9-15H2,1-2H3,(H2,27,32)(H,28,34)(H,29,35)
InChIKeyHRVQCZHXPPIHCQ-UHFFFAOYSA-N
XLogP0.44
TPSA168.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2S)-2-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 51420400
benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3119491
(2R)-2-[[(2R)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 71420830
1-[2-[[4-methyl-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 3269786
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 175704313
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-1-[(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 131717414
benzyl (2R)-2-[[(2S)-1-[[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 129449829
2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]amino]pentanoyl]amino]acetic acid
CID 54372025
benzyl (2S)-2-[(2S)-2-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
CID 54046003
benzyl (2R)-2-[(2S)-2-[[(2S)-1,1-dibutoxy-5-(diaminomethylideneamino)pentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
CID 15308579
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 4979381
benzyl (2R)-2-[[(2S)-1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 57251390

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate (CID 4528753) is benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate is CC(C)CC(NC(=O)C1CCCN1C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(N)=O.
What is the InChIKey of benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is HRVQCZHXPPIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O7/c1-16(2)13-18(23(34)28-14-21(27)32)29-24(35)19-9-6-12-30(19)25(36)20-10-11-22(33)31(20)26(37)38-15-17-7-4-3-5-8-17/h3-5,7-8,16,18-20H,6,9-15H2,1-2H3,(H2,27,32)(H,28,34)(H,29,35).
What are the key properties of benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate?
benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 529.59 g/mol, XLogP of 0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 4528753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).