2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid

C16H28N2O4 — CID 66566460

IUPAC2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(C1CCC(NCC(=O)O)CC1)C1CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18(13-8-9-13)12-6-4-11(5-7-12)17-10-14(19)20/h11-13,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyXNMAJBSWEFQSRX-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.37
Rot. Bonds5

About 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid

2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid (PubChem CID 66566460) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
PubChem CID66566460
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(C1CCC(NCC(=O)O)CC1)C1CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18(13-8-9-13)12-6-4-11(5-7-12)17-10-14(19)20/h11-13,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyXNMAJBSWEFQSRX-UHFFFAOYSA-N
XLogP2.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 66567767
2-(cyclopropylamino)acetic acid
CID 21197388
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
tert-butyl 3-[[4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]amino]propanoate
CID 138712115
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
CID 104530154
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid (CID 66566460) is 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid is CC(C)(C)OC(=O)N(C1CCC(NCC(=O)O)CC1)C1CC1.
What is the InChIKey of 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid?
The InChIKey is XNMAJBSWEFQSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18(13-8-9-13)12-6-4-11(5-7-12)17-10-14(19)20/h11-13,17H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid?
2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 66566460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).