(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid

C8H8N2O2S — CID 130675880

IUPAC(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
SMILESN#Cc1ccc([C@H](N)CC(=O)O)s1
InChIInChI=1S/C8H8N2O2S/c9-4-5-1-2-7(13-5)6(10)3-8(11)12/h1-2,6H,3,10H2,(H,11,12)/t6-/m1/s1
InChIKeyFNMUELXPKQVFEZ-ZCFIWIBFSA-N
MW196.23 g/mol
LogP1.09
Rot. Bonds3

About (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid

(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid (PubChem CID 130675880) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
PubChem CID130675880
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
SMILESN#Cc1ccc([C@H](N)CC(=O)O)s1
InChIInChI=1S/C8H8N2O2S/c9-4-5-1-2-7(13-5)6(10)3-8(11)12/h1-2,6H,3,10H2,(H,11,12)/t6-/m1/s1
InChIKeyFNMUELXPKQVFEZ-ZCFIWIBFSA-N
XLogP1.09
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480
(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
CID 130682565
3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
CID 170872483
3-amino-3-(5-benzylthiophen-2-yl)propanoic acid
CID 135367524
methyl 3-(5-cyanothiophen-2-yl)-2,3-dihydroxypropanoate
CID 171865412
5-(1-amino-2-cyanoethyl)thiophene-2-carboxylic acid
CID 55269530
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567
(3S)-3-amino-3-[5-[(2-methylphenyl)methyl]thiophen-2-yl]propanoic acid
CID 135366831
(3R)-3-amino-3-(3-cyano-1H-pyrrol-2-yl)propanoic acid
CID 130650607
5-(3-methylbutanoyl)thiophene-2-carbonitrile
CID 131428937
3-amino-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]propanoic acid
CID 135366929
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid (CID 130675880) is (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid is N#Cc1ccc([C@H](N)CC(=O)O)s1.
What is the InChIKey of (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid?
The InChIKey is FNMUELXPKQVFEZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-4-5-1-2-7(13-5)6(10)3-8(11)12/h1-2,6H,3,10H2,(H,11,12)/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid?
(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid is sourced from PubChem (CID 130675880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).