2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid

C9H12N2O3S — CID 70403801

IUPAC2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid
SMILESC[C@H](N)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-5(10)8(12)11-7(9(13)14)6-3-2-4-15-6/h2-5,7H,10H2,1H3,(H,11,12)(H,13,14)/t5-,7?/m0/s1
InChIKeyVUXNLSYASPVOFW-DSEUIKHZSA-N
MW228.27 g/mol
LogP0.34
Rot. Bonds4

About 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid

2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 70403801) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID70403801
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid
SMILESC[C@H](N)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-5(10)8(12)11-7(9(13)14)6-3-2-4-15-6/h2-5,7H,10H2,1H3,(H,11,12)(H,13,14)/t5-,7?/m0/s1
InChIKeyVUXNLSYASPVOFW-DSEUIKHZSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Tenilsetam
CID 65649
N-[(thiophen-2-ylmethyl)carbamoyl]-L-alanine
CID 5389745
(7-Hydroxycarbamoyl-heptanoylamino)-thiophen-2-yl-acetic acid methyl ester
CID 44340553
2-[(2S)-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]sulfanylacetic acid
CID 122180361
2-[(2S)-4-methylsulfanyl-2-[(2-thiophen-2-ylacetyl)amino]butanoyl]sulfanylacetic acid
CID 122180364
2-Amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 22661278
Thenoyl methionate
CID 40542948
4-(2-Hydroxyethyl)-3-(thiophen-2-yl)-3,4,5,6-tetrahydropyrazin-2-ol
CID 3070021
2-(((Tert-butoxy)carbonyl)amino)-2-(thiophen-2-yl)acetic acid
CID 15591778
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
(2S,3R)-3-methyl-2-(3-(thiophen-2-ylmethyl)ureido)pentanoic acid
CID 664318
N-[(thiophen-2-ylmethyl)carbamoyl]-L-methionine
CID 664979

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid (CID 70403801) is 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid is C[C@H](N)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is VUXNLSYASPVOFW-DSEUIKHZSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(10)8(12)11-7(9(13)14)6-3-2-4-15-6/h2-5,7H,10H2,1H3,(H,11,12)(H,13,14)/t5-,7?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 70403801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).