3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid

C14H26N2O2 — CID 65059244

IUPAC3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-8-5-13(6-9-15)16(12-3-4-12)10-7-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyOSHGCLCSTGVTOZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds6

About 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid

3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid (PubChem CID 65059244) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
PubChem CID65059244
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-8-5-13(6-9-15)16(12-3-4-12)10-7-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyOSHGCLCSTGVTOZ-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
CID 65059132
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 60953422
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 54925654
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65087501
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65059247

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid (CID 65059244) is 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid is CC(C)N1CCC(N(CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is OSHGCLCSTGVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)15-8-5-13(6-9-15)16(12-3-4-12)10-7-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid?
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 65059244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).