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

C18H31NO4 — CID 106489840

IUPAC2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(CC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C18H31NO4/c1-17(2,3)23-16(22)19-12-18(15(20)21,14-9-10-14)11-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZPDZRPDBJZPYJD-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.96
Rot. Bonds6

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

2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 106489840) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID106489840
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(CC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C18H31NO4/c1-17(2,3)23-16(22)19-12-18(15(20)21,14-9-10-14)11-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZPDZRPDBJZPYJD-UHFFFAOYSA-N
XLogP3.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487777
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(oxan-2-yl)propanoic acid
CID 106489809
2-cyclopropyl-2-(cyclopropylmethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106931599
2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106489825
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417
tert-butyl N-[2-(cyclohexylmethoxy)-3-iodo-2-methylpropyl]carbamate
CID 114774025
tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
CID 107251984
tert-butyl N-[3-bromo-2-(cyclopentylmethoxy)-2-methylpropyl]carbamate
CID 114774602
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107067066

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 106489840) is 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NCC(CC1CCCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is ZPDZRPDBJZPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-17(2,3)23-16(22)19-12-18(15(20)21,14-9-10-14)11-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 325.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 106489840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).