2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid

C11H20N2O3 — CID 63656971

IUPAC2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C11H20N2O3/c1-12(7-9-5-3-4-6-9)11(16)13(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXVULPLNAJUUKBA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid

2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid (PubChem CID 63656971) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
PubChem CID63656971
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C11H20N2O3/c1-12(7-9-5-3-4-6-9)11(16)13(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXVULPLNAJUUKBA-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid (CID 63656971) is 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N(C)CC1CCCC1.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is XVULPLNAJUUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12(7-9-5-3-4-6-9)11(16)13(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid?
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 63656971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).