2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid

C12H21NO3 — CID 62818628

IUPAC2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,11(15)16)13(3)10(14)8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLCUKBZGPVKIPLJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid

2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62818628) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
PubChem CID62818628
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,11(15)16)13(3)10(14)8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLCUKBZGPVKIPLJ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 114459136
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 119200234
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200322
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-cyclopentyl-N-methyl-N-(2-oxoethyl)acetamide
CID 88582522
2-cyclopentyl-N-methoxy-N-methylacetamide
CID 15158208
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[ethyl-[2-(thian-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 83146101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid (CID 62818628) is 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)CC1CCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is LCUKBZGPVKIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,11(15)16)13(3)10(14)8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid?
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).