2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid

C12H22N2O3 — CID 62820411

IUPAC2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)NCC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,10(15)16)14(3)11(17)13-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLEVBISVIVGBHDH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds4

About 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid

2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62820411) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62820411
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)NCC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,10(15)16)14(3)11(17)13-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLEVBISVIVGBHDH-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297567
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106
1-butyl-3-(cyclopentylmethyl)-1-methylurea
CID 108902611
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid (CID 62820411) is 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)NCC1CCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is LEVBISVIVGBHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,10(15)16)14(3)11(17)13-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).