(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid

C15H26N4O5 — CID 175951104

IUPAC(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)CCC(=O)O)CC1)C(N)=O
InChIInChI=1S/C15H26N4O5/c1-8(2)7-10(12(17)22)18-14(24)15(5-6-15)19-13(23)9(16)3-4-11(20)21/h8-10H,3-7,16H2,1-2H3,(H2,17,22)(H,18,24)(H,19,23)(H,20,21)/t9-,10-/m0/s1
InChIKeyNERXLBYNEHBRLJ-UWVGGRQHSA-N
MW342.40 g/mol
LogP-1.16
Rot. Bonds10

About (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid

(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid (PubChem CID 175951104) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid
PubChem CID175951104
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)CCC(=O)O)CC1)C(N)=O
InChIInChI=1S/C15H26N4O5/c1-8(2)7-10(12(17)22)18-14(24)15(5-6-15)19-13(23)9(16)3-4-11(20)21/h8-10H,3-7,16H2,1-2H3,(H2,17,22)(H,18,24)(H,19,23)(H,20,21)/t9-,10-/m0/s1
InChIKeyNERXLBYNEHBRLJ-UWVGGRQHSA-N
XLogP-1.16
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
CID 79001418
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175767787
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 175912300
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 22411045
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 175899248
2-[[4-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 22696645
2-[[2-[[5-amino-2-[(2-amino-4-carboxybutanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 18264946
2-[[2-[[2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 19018448
2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 18479366
4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
CID 167519008

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid (CID 175951104) is (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid is CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)CCC(=O)O)CC1)C(N)=O.
What is the InChIKey of (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid?
The InChIKey is NERXLBYNEHBRLJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-8(2)7-10(12(17)22)18-14(24)15(5-6-15)19-13(23)9(16)3-4-11(20)21/h8-10H,3-7,16H2,1-2H3,(H2,17,22)(H,18,24)(H,19,23)(H,20,21)/t9-,10-/m0/s1.
What are the key properties of (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid?
(4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid has a molecular weight of 342.40 g/mol, XLogP of -1.16, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 175951104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).