2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid

C9H12N2O3S — CID 78069023

IUPAC2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
SMILESNC(Cc1ccsc1)C(=O)NCC(=O)O
InChIInChI=1S/C9H12N2O3S/c10-7(3-6-1-2-15-5-6)9(14)11-4-8(12)13/h1-2,5,7H,3-4,10H2,(H,11,14)(H,12,13)
InChIKeyYBYLBYGPVIQYOJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.18
Rot. Bonds5

About 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid

2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid (PubChem CID 78069023) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
PubChem CID78069023
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
SMILESNC(Cc1ccsc1)C(=O)NCC(=O)O
InChIInChI=1S/C9H12N2O3S/c10-7(3-6-1-2-15-5-6)9(14)11-4-8(12)13/h1-2,5,7H,3-4,10H2,(H,11,14)(H,12,13)
InChIKeyYBYLBYGPVIQYOJ-UHFFFAOYSA-N
XLogP-0.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
CID 5060023
3-amino-4-thiophen-3-ylbutanoic acid;hydrochloride
CID 53397987
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
2-[[2-[[2-[[(2S)-2-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 175957602
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 175702731
3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 19951512
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid (CID 78069023) is 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid is NC(Cc1ccsc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid?
The InChIKey is YBYLBYGPVIQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-7(3-6-1-2-15-5-6)9(14)11-4-8(12)13/h1-2,5,7H,3-4,10H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid?
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 78069023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).