(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid

C19H28N2O2 — CID 174204597

IUPAC(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid
SMILESCCN1CCC[C@H](C(=O)O)[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-21-13-5-8-17(19(22)23)18(21)14-9-11-16(12-10-14)20-15-6-3-4-7-15/h9-12,15,17-18,20H,2-8,13H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyBWSFXCIXVOIIJA-ROUUACIJSA-N
MW316.44 g/mol
LogP3.90
Rot. Bonds5

About (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid

(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid (PubChem CID 174204597) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid
PubChem CID174204597
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid
SMILESCCN1CCC[C@H](C(=O)O)[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-21-13-5-8-17(19(22)23)18(21)14-9-11-16(12-10-14)20-15-6-3-4-7-15/h9-12,15,17-18,20H,2-8,13H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyBWSFXCIXVOIIJA-ROUUACIJSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid (CID 174204597) is (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid is CCN1CCC[C@H](C(=O)O)[C@@H]1c1ccc(NC2CCCC2)cc1.
What is the InChIKey of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid?
The InChIKey is BWSFXCIXVOIIJA-ROUUACIJSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-21-13-5-8-17(19(22)23)18(21)14-9-11-16(12-10-14)20-15-6-3-4-7-15/h9-12,15,17-18,20H,2-8,13H2,1H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid?
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid has a molecular weight of 316.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 174204597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).