5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid

C13H24N2O4 — CID 113287624

IUPAC5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(2)6-3-4-9-14-13(19)15-11(16)7-5-8-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFQNXGDRALGSRTQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.89
Rot. Bonds9

About 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid

5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 113287624) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
PubChem CID113287624
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(2)6-3-4-9-14-13(19)15-11(16)7-5-8-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFQNXGDRALGSRTQ-UHFFFAOYSA-N
XLogP1.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(7-methyloctanoylamino)propanoic acid
CID 115729984
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
1-methyl-3-(7-methyloctyl)urea
CID 71899901
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid (CID 113287624) is 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid is CC(C)CCCCNC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is FQNXGDRALGSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)6-3-4-9-14-13(19)15-11(16)7-5-8-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 113287624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).