(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid

C19H23FN2O4 — CID 97271919

IUPAC(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(F)cc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23FN2O4/c20-15-5-1-12(2-6-15)11-16(19(25)26)21-17(23)13-7-9-22(10-8-13)18(24)14-3-4-14/h1-2,5-6,13-14,16H,3-4,7-11H2,(H,21,23)(H,25,26)/t16-/m1/s1
InChIKeySBJSINJJZHBDJT-MRXNPFEDSA-N
MW362.40 g/mol
LogP1.59
Rot. Bonds6

About (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid

(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 97271919) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID97271919
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(F)cc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23FN2O4/c20-15-5-1-12(2-6-15)11-16(19(25)26)21-17(23)13-7-9-22(10-8-13)18(24)14-3-4-14/h1-2,5-6,13-14,16H,3-4,7-11H2,(H,21,23)(H,25,26)/t16-/m1/s1
InChIKeySBJSINJJZHBDJT-MRXNPFEDSA-N
XLogP1.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)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

(2S)-3-phenyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid
CID 6353078
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947
(2S)-3-(4-hydroxyphenyl)-2-[[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 102008985
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
(2S)-3-(4-hydroxyphenyl)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]propanoic acid
CID 72936509
1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 4964862
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 7093458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid (CID 97271919) is (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid is O=C(N[C@H](Cc1ccc(F)cc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is SBJSINJJZHBDJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN2O4/c20-15-5-1-12(2-6-15)11-16(19(25)26)21-17(23)13-7-9-22(10-8-13)18(24)14-3-4-14/h1-2,5-6,13-14,16H,3-4,7-11H2,(H,21,23)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid?
(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 362.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 97271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).