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

C14H25NO4 — CID 20814412

IUPAC(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeyBNBPEZCCUHLJCZ-AWEZNQCLSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds3

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

(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 20814412) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID20814412
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeyBNBPEZCCUHLJCZ-AWEZNQCLSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 20814412) is (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is BNBPEZCCUHLJCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 20814412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).