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

C14H24N2O3 — CID 54983975

IUPAC2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-15(9-11-5-3-2-4-6-11)14(19)16(10-13(17)18)12-7-8-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyCFHFDFMWPONIAJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds5

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

2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid (PubChem CID 54983975) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid
PubChem CID54983975
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-15(9-11-5-3-2-4-6-11)14(19)16(10-13(17)18)12-7-8-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyCFHFDFMWPONIAJ-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Methyl-(4-methylcyclohexyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263918
2-[[Cyclohexylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263924
2-[[Methyl-(3-methylcyclohexyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263925
2-[[Methyl-(2-methylcyclohexyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264200
2-[[Cyclohexyl(propan-2-yl)carbamoyl]-methylamino]acetic acid
CID 89496660
2-[Methyl-[(4-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 43135822
2-[[Cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43135831
2-[[Cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid
CID 43135840
2-[Methyl-[(2-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 43135857
2-[Methyl-[(3-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 43370668
2-[[1-Cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43569526
2-[(3-Ethylpiperidine-1-carbonyl)-methylamino]acetic acid
CID 43584854

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid (CID 54983975) is 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid is CN(CC1CCCCC1)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid?
The InChIKey is CFHFDFMWPONIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(9-11-5-3-2-4-6-11)14(19)16(10-13(17)18)12-7-8-12/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid?
2-[[cyclohexylmethyl(methyl)carbamoyl]-cyclopropylamino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 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]-cyclopropylamino]acetic acid is sourced from PubChem (CID 54983975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).