(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid

C17H24N2O3 — CID 663489

IUPAC(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-2-14-10-6-7-11-19(14)17(22)18-15(16(20)21)12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,22)(H,20,21)/t14?,15-/m0/s1
InChIKeyUMRFWQPCLPWDMJ-LOACHALJSA-N
MW304.39 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 663489) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID663489
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-2-14-10-6-7-11-19(14)17(22)18-15(16(20)21)12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,22)(H,20,21)/t14?,15-/m0/s1
InChIKeyUMRFWQPCLPWDMJ-LOACHALJSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid (CID 663489) is (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid is CCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is UMRFWQPCLPWDMJ-LOACHALJSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-14-10-6-7-11-19(14)17(22)18-15(16(20)21)12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,22)(H,20,21)/t14?,15-/m0/s1.
What are the key properties of (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 663489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).