(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid

C16H20FN3O4 — CID 97280866

IUPAC(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
SMILESNC(=O)CN1CCC(C(=O)N[C@H](C(=O)O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O4/c17-12-3-1-2-11(8-12)14(16(23)24)19-15(22)10-4-6-20(7-5-10)9-13(18)21/h1-3,8,10,14H,4-7,9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m0/s1
InChIKeyKCXUTMYJMBFJMH-AWEZNQCLSA-N
MW337.35 g/mol
LogP0.26
Rot. Bonds6

About (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid

(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid (PubChem CID 97280866) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
PubChem CID97280866
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
SMILESNC(=O)CN1CCC(C(=O)N[C@H](C(=O)O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O4/c17-12-3-1-2-11(8-12)14(16(23)24)19-15(22)10-4-6-20(7-5-10)9-13(18)21/h1-3,8,10,14H,4-7,9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m0/s1
InChIKeyKCXUTMYJMBFJMH-AWEZNQCLSA-N
XLogP0.26
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic 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

(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
CID 97282994
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
2-[[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 131891214
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 70737044
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The IUPAC name of (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid (CID 97280866) is (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The canonical SMILES for (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid is NC(=O)CN1CCC(C(=O)N[C@H](C(=O)O)c2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The InChIKey is KCXUTMYJMBFJMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O4/c17-12-3-1-2-11(8-12)14(16(23)24)19-15(22)10-4-6-20(7-5-10)9-13(18)21/h1-3,8,10,14H,4-7,9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid has a molecular weight of 337.35 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid is sourced from PubChem (CID 97280866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).