3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid

C15H28N2O2 — CID 117239526

IUPAC3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(C(CNC2CCCC2)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-2-17-9-7-12(8-10-17)14(15(18)19)11-16-13-5-3-4-6-13/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyLXXFTZKPPRQVLI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds6

About 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid

3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid (PubChem CID 117239526) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid
PubChem CID117239526
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(C(CNC2CCCC2)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-2-17-9-7-12(8-10-17)14(15(18)19)11-16-13-5-3-4-6-13/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyLXXFTZKPPRQVLI-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylamino)-2-(1,1-dioxothian-4-yl)propanoic acid
CID 117239504
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
N'-cyclopropyl-1-(1-ethylpiperidin-4-yl)ethane-1,2-diamine
CID 117238537
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
2-cycloheptylbutanoic acid
CID 79007061
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid (CID 117239526) is 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid is CCN1CCC(C(CNC2CCCC2)C(=O)O)CC1.
What is the InChIKey of 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid?
The InChIKey is LXXFTZKPPRQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17-9-7-12(8-10-17)14(15(18)19)11-16-13-5-3-4-6-13/h12-14,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid?
3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 117239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).