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

C20H38N2O4 — CID 2828510

IUPACN-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC1CCC(NC2CCCCC2)CC1.CC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23N.C8H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(6(10)11)9-7(12)13-8(2,3)4/h11-13H,1-10H2;5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyKTGJIYLTQWUHFQ-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.23
Rot. Bonds4

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

N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 2828510) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID2828510
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC NameN-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC1CCC(NC2CCCCC2)CC1.CC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23N.C8H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(6(10)11)9-7(12)13-8(2,3)4/h11-13H,1-10H2;5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyKTGJIYLTQWUHFQ-UHFFFAOYSA-N
XLogP4.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine
CID 12017189
N-cyclohexylcyclohexanamine;(2R)-3-(ethyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 71312107
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 2828510) is N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is C1CCC(NC2CCCCC2)CC1.CC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is KTGJIYLTQWUHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C8H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(6(10)11)9-7(12)13-8(2,3)4/h11-13H,1-10H2;5H,1-4H3,(H,9,12)(H,10,11).
What are the key properties of N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 370.53 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 2828510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).