5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid

C14H25NO3 — CID 62965595

IUPAC5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(9-14(17)18)8-13(16)15(2)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyVOINMTFZSNWUBD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds6

About 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid

5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965595) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965595
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(9-14(17)18)8-13(16)15(2)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyVOINMTFZSNWUBD-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid (CID 62965595) is 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is VOINMTFZSNWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(9-14(17)18)8-13(16)15(2)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid?
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).