(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid

C17H19NO4S — CID 1263207

IUPAC(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESCC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S/c1-11(2)22-13-7-5-12(6-8-13)14(10-16(19)20)18-17(21)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyNYMZFPDZZXTKLD-CQSZACIVSA-N
MW333.41 g/mol
LogP3.48
Rot. Bonds7

About (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid

(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 1263207) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID1263207
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESCC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S/c1-11(2)22-13-7-5-12(6-8-13)14(10-16(19)20)18-17(21)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyNYMZFPDZZXTKLD-CQSZACIVSA-N
XLogP3.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 141022338
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
phenacyl (3S)-3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 40852828
phenacyl 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 3477347
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-(4-propoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 4182215
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
(3S)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925632

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid (CID 1263207) is (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid is CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1.
What is the InChIKey of (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is NYMZFPDZZXTKLD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11(2)22-13-7-5-12(6-8-13)14(10-16(19)20)18-17(21)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 333.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 1263207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).