3-amino-3-(thiophene-2-carbonylamino)propanoic acid

C8H10N2O3S — CID 67329386

IUPAC3-amino-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNC(CC(=O)O)NC(=O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c9-6(4-7(11)12)10-8(13)5-2-1-3-14-5/h1-3,6H,4,9H2,(H,10,13)(H,11,12)
InChIKeySXQYLFSVEGYEHT-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.24
Rot. Bonds4

About 3-amino-3-(thiophene-2-carbonylamino)propanoic acid

3-amino-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 67329386) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-amino-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID67329386
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-amino-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNC(CC(=O)O)NC(=O)c1cccs1
InChIInChI=1S/C8H10N2O3S/c9-6(4-7(11)12)10-8(13)5-2-1-3-14-5/h1-3,6H,4,9H2,(H,10,13)(H,11,12)
InChIKeySXQYLFSVEGYEHT-UHFFFAOYSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 141022338
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
CID 908362
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
2-amino-4-oxo-4-thiophen-2-ylbutanoic acid;hydrochloride
CID 71756870
(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
CID 71402009
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-amino-3-(thiophene-2-carbonylamino)propanoic acid (CID 67329386) is 3-amino-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-amino-3-(thiophene-2-carbonylamino)propanoic acid is NC(CC(=O)O)NC(=O)c1cccs1.
What is the InChIKey of 3-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is SXQYLFSVEGYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-6(4-7(11)12)10-8(13)5-2-1-3-14-5/h1-3,6H,4,9H2,(H,10,13)(H,11,12).
What are the key properties of 3-amino-3-(thiophene-2-carbonylamino)propanoic acid?
3-amino-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 67329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).