2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid

C14H26N2O2 — CID 63908091

IUPAC2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-14(13(17)18,12-6-7-12)10-16-8-4-3-5-9-16/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyPAERSHIBTQEFKM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds6

About 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid

2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid (PubChem CID 63908091) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
PubChem CID63908091
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-14(13(17)18,12-6-7-12)10-16-8-4-3-5-9-16/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyPAERSHIBTQEFKM-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

2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63907433
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63925992
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
CID 63908270
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid (CID 63908091) is 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid is CC(C)NC(CN1CCCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid?
The InChIKey is PAERSHIBTQEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)15-14(13(17)18,12-6-7-12)10-16-8-4-3-5-9-16/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic 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-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63908091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).