(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid

C15H20N2O4 — CID 102962888

IUPAC(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCOC1CCCN(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-12-8-5-9-17(10-12)15(20)16-13(14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19)/t12?,13-/m0/s1
InChIKeyVDYARAOXIVBDDF-ABLWVSNPSA-N
MW292.33 g/mol
LogP1.63
Rot. Bonds4

About (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 102962888) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID102962888
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCOC1CCCN(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-12-8-5-9-17(10-12)15(20)16-13(14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19)/t12?,13-/m0/s1
InChIKeyVDYARAOXIVBDDF-ABLWVSNPSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
CID 79161746
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 104899026

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid (CID 102962888) is (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid is COC1CCCN(C(=O)N[C@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is VDYARAOXIVBDDF-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-8-5-9-17(10-12)15(20)16-13(14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 102962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).