2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid

C13H24N2O4 — CID 21251921

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCCC1NCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)14-8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBPIWFLFDQZEOPT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.50
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid (PubChem CID 21251921) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
PubChem CID21251921
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCCC1NCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)14-8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBPIWFLFDQZEOPT-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid with MolForge

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Related Compounds

tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
CID 68975767
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
CID 104844803
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid (CID 21251921) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid is CC(C)(C)OC(=O)NC1CCCCC1NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid?
The InChIKey is BPIWFLFDQZEOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)14-8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid?
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 21251921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).