(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid

C9H16N2O5S — CID 11043643

IUPAC(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid
SMILESCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKeyUPCDLBPYWXOCOK-WDSKDSINSA-N
MW264.30 g/mol
LogP-0.89
Rot. Bonds8

About (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid (PubChem CID 11043643) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid
PubChem CID11043643
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid
SMILESCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKeyUPCDLBPYWXOCOK-WDSKDSINSA-N
XLogP-0.89
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid (CID 11043643) is (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid is CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid?
The InChIKey is UPCDLBPYWXOCOK-WDSKDSINSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid has a molecular weight of 264.30 g/mol, XLogP of -0.89, 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-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 11043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).