2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid

C14H26N2O2 — CID 63055407

IUPAC2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1(C)CCN(CCC(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-9-16(10-7-14)8-5-12(13(17)18)15-11-3-4-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyDUKGLRCARVTALN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds6

About 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid

2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid (PubChem CID 63055407) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
PubChem CID63055407
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1(C)CCN(CCC(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-9-16(10-7-14)8-5-12(13(17)18)15-11-3-4-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyDUKGLRCARVTALN-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 55142771
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
2-(cyclopropylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 63054189
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
CID 114279502
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid (CID 63055407) is 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid is CC1(C)CCN(CCC(NC2CC2)C(=O)O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The InChIKey is DUKGLRCARVTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)6-9-16(10-7-14)8-5-12(13(17)18)15-11-3-4-11/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 63055407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).