2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid

C14H24N2O3 — CID 54983973

IUPAC2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCC(N(C)C(=O)N(CC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-5-11(6-4-10)15(2)14(19)16(9-13(17)18)12-7-8-12/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyVHYMICBIIHNWJM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds4

About 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 54983973) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID54983973
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCC(N(C)C(=O)N(CC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-5-11(6-4-10)15(2)14(19)16(9-13(17)18)12-7-8-12/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyVHYMICBIIHNWJM-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid (CID 54983973) is 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid is CC1CCC(N(C)C(=O)N(CC(=O)O)C2CC2)CC1.
What is the InChIKey of 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is VHYMICBIIHNWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-3-5-11(6-4-10)15(2)14(19)16(9-13(17)18)12-7-8-12/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54983973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).