(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide

C8H15N3O3S — CID 177422147

IUPAC(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide
SMILESNCC(=O)C[C@@H](CS)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O3S/c9-2-6(12)1-5(4-15)8(14)11-3-7(10)13/h5,15H,1-4,9H2,(H2,10,13)(H,11,14)/t5-/m0/s1
InChIKeyCEJVDFMIECSPHC-YFKPBYRVSA-N
MW233.29 g/mol
LogP-1.95
Rot. Bonds7

About (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide

(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide (PubChem CID 177422147) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide
PubChem CID177422147
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide
SMILESNCC(=O)C[C@@H](CS)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O3S/c9-2-6(12)1-5(4-15)8(14)11-3-7(10)13/h5,15H,1-4,9H2,(H2,10,13)(H,11,14)/t5-/m0/s1
InChIKeyCEJVDFMIECSPHC-YFKPBYRVSA-N
XLogP-1.95
TPSA115.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
CID 90253936
N-(3,3-dimethyl-2-oxobutyl)-7-hydroxy-4,8-dioxo-2-(sulfanylmethyl)nonanamide
CID 147047770
(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 152833510
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]butanedioic acid
CID 22653818
(2S)-2-acetamido-5-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 25063243
2-[[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
CID 22654917
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
CID 43315738
4-[[2-[(1-carboxy-2-sulfanylethyl)amino]-2-oxoethyl]amino]-3-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoic acid
CID 22653419
2-(15N)azanylacetamide;hydrochloride
CID 131708744

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide?
The IUPAC name of (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide (CID 177422147) is (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide is NCC(=O)C[C@@H](CS)C(=O)NCC(N)=O.
What is the InChIKey of (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide?
The InChIKey is CEJVDFMIECSPHC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O3S/c9-2-6(12)1-5(4-15)8(14)11-3-7(10)13/h5,15H,1-4,9H2,(H2,10,13)(H,11,14)/t5-/m0/s1.
What are the key properties of (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide?
(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide has a molecular weight of 233.29 g/mol, XLogP of -1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 177422147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).