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

C16H20FN3O4 — CID 97282994

IUPAC(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c17-12-4-2-1-3-11(12)14(16(23)24)19-15(22)10-5-7-20(8-6-10)9-13(18)21/h1-4,10,14H,5-9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyKUNWBERFFJBGMN-CQSZACIVSA-N
MW337.35 g/mol
LogP0.26
Rot. Bonds6

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

(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid (PubChem CID 97282994) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
PubChem CID97282994
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c17-12-4-2-1-3-11(12)14(16(23)24)19-15(22)10-5-7-20(8-6-10)9-13(18)21/h1-4,10,14H,5-9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyKUNWBERFFJBGMN-CQSZACIVSA-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

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Related Compounds

(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
CID 97280866
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24674052
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
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-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 97274460
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid?
The IUPAC name of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid (CID 97282994) is (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid is NC(=O)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid?
The InChIKey is KUNWBERFFJBGMN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN3O4/c17-12-4-2-1-3-11(12)14(16(23)24)19-15(22)10-5-7-20(8-6-10)9-13(18)21/h1-4,10,14H,5-9H2,(H2,18,21)(H,19,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid?
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-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 (2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 97282994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).