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

C8H9NO3S — CID 30052435

IUPAC(2S)-2-(thiophene-3-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyYCOPMEYGYMUHNR-YFKPBYRVSA-N
MW199.23 g/mol
LogP0.95
Rot. Bonds3

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

(2S)-2-(thiophene-3-carbonylamino)propanoic acid (PubChem CID 30052435) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is (2S)-2-(thiophene-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiophene-3-carbonylamino)propanoic acid
PubChem CID30052435
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name(2S)-2-(thiophene-3-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyYCOPMEYGYMUHNR-YFKPBYRVSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Magnesium, bis(N-(3-thienylcarbonyl)glycinato-O,O(sup N))-, (T-4)-
CID 3055285
(2S)-1-[(2S)-5-amino-2-(thiophene-3-carbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 45269007
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
2-(Thiophen-3-ylformamido)acetic acid
CID 3055286
3-[(4-Methylthiophen-3-yl)formamido]propanoic acid
CID 79803215
methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
CID 43407716
methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
CID 55028598
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
N-Butylthiophene-3-carboxamide
CID 12161492
N-[2-oxo-2-(propylamino)ethyl]thiophene-3-carboxamide
CID 45850141
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 47017211
N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide
CID 75391967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophene-3-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(thiophene-3-carbonylamino)propanoic acid (CID 30052435) is (2S)-2-(thiophene-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(thiophene-3-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(thiophene-3-carbonylamino)propanoic acid is C[C@H](NC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of (2S)-2-(thiophene-3-carbonylamino)propanoic acid?
The InChIKey is YCOPMEYGYMUHNR-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(thiophene-3-carbonylamino)propanoic acid?
(2S)-2-(thiophene-3-carbonylamino)propanoic acid has a molecular weight of 199.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiophene-3-carbonylamino)propanoic acid is sourced from PubChem (CID 30052435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).