(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid

C11H19N3O7S — CID 118658387

IUPAC(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](N[C@H](CSC[C@H](N)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C11H19N3O7S/c12-5(9(16)17)3-22-4-7(11(20)21)14-6(10(18)19)1-2-8(13)15/h5-7,14H,1-4,12H2,(H2,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6+,7+/m0/s1
InChIKeyWHWUOXDXDVOIKA-RRKCRQDMSA-N
MW337.35 g/mol
LogP-2.11
Rot. Bonds12

About (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid (PubChem CID 118658387) has the molecular formula C11H19N3O7S and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid
PubChem CID118658387
Molecular FormulaC11H19N3O7S
Molecular Weight337.35 g/mol
Exact Mass337.09
IUPAC Name(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](N[C@H](CSC[C@H](N)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C11H19N3O7S/c12-5(9(16)17)3-22-4-7(11(20)21)14-6(10(18)19)1-2-8(13)15/h5-7,14H,1-4,12H2,(H2,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6+,7+/m0/s1
InChIKeyWHWUOXDXDVOIKA-RRKCRQDMSA-N
XLogP-2.11
TPSA193.04 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.35
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[[3-(2-amino-2-carboxyethyl)selanyl-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 127261891
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2-amino-3-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 54316714
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23191188
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid (CID 118658387) is (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](N[C@H](CSC[C@H](N)C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid?
The InChIKey is WHWUOXDXDVOIKA-RRKCRQDMSA-N. The full InChI is InChI=1S/C11H19N3O7S/c12-5(9(16)17)3-22-4-7(11(20)21)14-6(10(18)19)1-2-8(13)15/h5-7,14H,1-4,12H2,(H2,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6+,7+/m0/s1.
What are the key properties of (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid has a molecular weight of 337.35 g/mol, XLogP of -2.11, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 118658387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).