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

C16H30N2O2 — CID 63925992

IUPAC2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCCC(C)C1C)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20,14-7-8-14)10-18-9-5-6-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyLZCHSKUEAWSDJA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds6

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

2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid (PubChem CID 63925992) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
PubChem CID63925992
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCCC(C)C1C)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20,14-7-8-14)10-18-9-5-6-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyLZCHSKUEAWSDJA-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63907433
ethyl 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)propanoate
CID 63926194
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 62123088
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
4-(2,3-dimethylpiperidin-1-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66455577

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid (CID 63925992) is 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(CN1CCCC(C)C1C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is LZCHSKUEAWSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)17-16(15(19)20,14-7-8-14)10-18-9-5-6-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63925992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).