2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid

C15H28N2O3 — CID 63244361

IUPAC2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-9-15(3,13(18)19)17-14(20)16-10-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyYKFWRAQNESMTDY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid

2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid (PubChem CID 63244361) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
PubChem CID63244361
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-9-15(3,13(18)19)17-14(20)16-10-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyYKFWRAQNESMTDY-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid (CID 63244361) is 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NCC1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is YKFWRAQNESMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-9-15(3,13(18)19)17-14(20)16-10-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid?
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 63244361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).