2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C14H25NO4 — CID 70184619

IUPAC2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-11(12(16)17)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNAXWYUTUBYCYRA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds4

About 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 70184619) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID70184619
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-11(12(16)17)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNAXWYUTUBYCYRA-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(cyanomethylamino)-2-cyclohexyl-3-oxopropyl]carbamate
CID 87850962
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
CID 84730029
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 70184619) is 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NCC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is NAXWYUTUBYCYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-11(12(16)17)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 70184619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).