2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid

C13H24N2O3 — CID 61444099

IUPAC2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-15(10-12(16)17)13(18)14(2)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyCHOCFZWSRHIMMQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.03
Rot. Bonds5

About 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid

2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid (PubChem CID 61444099) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
PubChem CID61444099
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-15(10-12(16)17)13(18)14(2)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyCHOCFZWSRHIMMQ-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 63708066
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid (CID 61444099) is 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N(C)CC1CCCCC1.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid?
The InChIKey is CHOCFZWSRHIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15(10-12(16)17)13(18)14(2)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid?
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid is sourced from PubChem (CID 61444099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).