(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid

C10H16N2O5S — CID 102494757

IUPAC(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
SMILESC/C=C/S[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2+/t6-,8-/m0/s1
InChIKeyIMDMJJAEVKFIJE-JXKNXFGGSA-N
MW276.31 g/mol
LogP-0.03
Rot. Bonds8

About (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid (PubChem CID 102494757) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
PubChem CID102494757
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
SMILESC/C=C/S[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2+/t6-,8-/m0/s1
InChIKeyIMDMJJAEVKFIJE-JXKNXFGGSA-N
XLogP-0.03
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]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

2-amino-5-[[(1R)-1-carboxy-2-[(Z)-prop-1-enyl]sulfanylethyl]amino]-5-oxopentanoic acid
CID 70151345
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-amino-5-[[1-carboxy-2-[(Z)-prop-1-enyl]sulfinylethyl]amino]-5-oxopentanoic acid
CID 5317734
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2S)-2-amino-5-[[(1R)-2-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 14253338
2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid (CID 102494757) is (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid is C/C=C/S[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The InChIKey is IMDMJJAEVKFIJE-JXKNXFGGSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2+/t6-,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid has a molecular weight of 276.31 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 102494757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).