benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate

C14H19N3O4 — CID 11975613

IUPACbenzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
SMILESNC(=O)CNC(=O)CC[C@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19N3O4/c15-11(6-7-13(19)17-8-12(16)18)14(20)21-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyAJPYPBSOAVVGCC-NSHDSACASA-N
MW293.32 g/mol
LogP-0.56
Rot. Bonds8

About benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate

benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate (PubChem CID 11975613) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
PubChem CID11975613
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namebenzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
SMILESNC(=O)CNC(=O)CC[C@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19N3O4/c15-11(6-7-13(19)17-8-12(16)18)14(20)21-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyAJPYPBSOAVVGCC-NSHDSACASA-N
XLogP-0.56
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 141344098
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
benzyl (2S)-2-amino-5-(methanesulfonamido)-5-oxopentanoate
CID 54570824
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate?
The IUPAC name of benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate (CID 11975613) is benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate.
What is the SMILES notation for benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate?
The canonical SMILES for benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate is NC(=O)CNC(=O)CC[C@H](N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate?
The InChIKey is AJPYPBSOAVVGCC-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O4/c15-11(6-7-13(19)17-8-12(16)18)14(20)21-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H2,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate?
benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate has a molecular weight of 293.32 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate is sourced from PubChem (CID 11975613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).