N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C24H44N2O4 — CID 66756723

IUPACN-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESC1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)NC(C(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO4.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2
InChIKeyMCIPNICZJUEQHT-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.40
Rot. Bonds5

About N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 66756723) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID66756723
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC NameN-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESC1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)NC(C(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO4.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2
InChIKeyMCIPNICZJUEQHT-UHFFFAOYSA-N
XLogP5.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

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Related Compounds

cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
tert-butyl N-[(1S)-1-cyclohexyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate;(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-methoxymethanamine;hydrochloride
CID 159188171
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
2-(4-fluoro-4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 171790648
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 66756723) is N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)NC(C(=O)O)C1CCCC1.
What is the InChIKey of N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is MCIPNICZJUEQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2.
What are the key properties of N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 424.63 g/mol, XLogP of 5.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 66756723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).