2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C11H19NO4 — CID 91184991

IUPAC2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC1CC1N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-8(7)12(6-9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyXHEAIXLYABPVQB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds3

About 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 91184991) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID91184991
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC1CC1N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-8(7)12(6-9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyXHEAIXLYABPVQB-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156633495
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 18784338
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidine-2-carboxylic acid
CID 139451874
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
CID 165465373
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate
CID 95913712
2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 66832283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 91184991) is 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC1CC1N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is XHEAIXLYABPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-5-8(7)12(6-9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 91184991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).