(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid

C16H22N2O3 — CID 61196822

IUPAC(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCC1CCCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-10-6-7-11-18(13)16(21)17-14(15(19)20)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t13?,14-/m1/s1
InChIKeyFCWDIEHXXAEFFP-ARLHGKGLSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds4

About (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61196822) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID61196822
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCC1CCCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-10-6-7-11-18(13)16(21)17-14(15(19)20)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t13?,14-/m1/s1
InChIKeyFCWDIEHXXAEFFP-ARLHGKGLSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62878683
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid (CID 61196822) is (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid is CCC1CCCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is FCWDIEHXXAEFFP-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-10-6-7-11-18(13)16(21)17-14(15(19)20)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61196822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).