(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid

C16H28N2O4 — CID 168861076

IUPAC(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid
SMILESC[C@@](CC1CCCCC1)(NC(=O)OC1CCNCC1)C(=O)O
InChIInChI=1S/C16H28N2O4/c1-16(14(19)20,11-12-5-3-2-4-6-12)18-15(21)22-13-7-9-17-10-8-13/h12-13,17H,2-11H2,1H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyAVZAHOKOETVUMV-INIZCTEOSA-N
MW312.41 g/mol
LogP2.28
Rot. Bonds5

About (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid

(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid (PubChem CID 168861076) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid
PubChem CID168861076
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid
SMILESC[C@@](CC1CCCCC1)(NC(=O)OC1CCNCC1)C(=O)O
InChIInChI=1S/C16H28N2O4/c1-16(14(19)20,11-12-5-3-2-4-6-12)18-15(21)22-13-7-9-17-10-8-13/h12-13,17H,2-11H2,1H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyAVZAHOKOETVUMV-INIZCTEOSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1S)-1-acetyloxyethoxy]carbonylamino]-3-cyclopentyl-2-methylpropanoic acid
CID 67172552
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 154724956
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
CID 68713434
dipiperidin-4-yl carbonate
CID 129132812
[3-(hydroxymethyl)cyclohexyl] N-tert-butylcarbamate
CID 90910799
(3S)-4-cyclohexyl-3-methyl-3-(methylamino)butan-2-one
CID 155643549
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 130348715
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid (CID 168861076) is (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid is C[C@@](CC1CCCCC1)(NC(=O)OC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid?
The InChIKey is AVZAHOKOETVUMV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(14(19)20,11-12-5-3-2-4-6-12)18-15(21)22-13-7-9-17-10-8-13/h12-13,17H,2-11H2,1H3,(H,18,21)(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid?
(2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-methyl-2-(piperidin-4-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 168861076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).