(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid

C14H25NO4 — CID 129379791

IUPAC(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
SMILESC[C@H](C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,10?,11?/m0/s1
InChIKeyZYZNVAJCHQRNLN-WHXUTIOJSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds3

About (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid

(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid (PubChem CID 129379791) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
PubChem CID129379791
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
SMILESC[C@H](C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,10?,11?/m0/s1
InChIKeyZYZNVAJCHQRNLN-WHXUTIOJSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The IUPAC name of (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid (CID 129379791) is (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The canonical SMILES for (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid is C[C@H](C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The InChIKey is ZYZNVAJCHQRNLN-WHXUTIOJSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid is sourced from PubChem (CID 129379791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).