2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid

C15H28N2O2 — CID 83062373

IUPAC2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1CCC(NC1CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-2-5-13-6-3-4-10-17(13)11-9-14(15(18)19)16-12-7-8-12/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyCNAILQYBCSRTIG-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds8

About 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid

2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid (PubChem CID 83062373) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
PubChem CID83062373
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1CCC(NC1CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-2-5-13-6-3-4-10-17(13)11-9-14(15(18)19)16-12-7-8-12/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyCNAILQYBCSRTIG-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid
CID 63054483
1-pentyl-2-propylpiperidine
CID 54429991
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid (CID 83062373) is 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid is CCCC1CCCCN1CCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The InChIKey is CNAILQYBCSRTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-5-13-6-3-4-10-17(13)11-9-14(15(18)19)16-12-7-8-12/h12-14,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 83062373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).