5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

C13H26N2O4 — CID 107201655

IUPAC5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CCCCCO
InChIInChI=1S/C13H26N2O4/c1-11(6-7-12(17)18)10-14-13(19)15(2)8-4-3-5-9-16/h11,16H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDRXQWFXXSGUULY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds10

About 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 107201655) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID107201655
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CCCCCO
InChIInChI=1S/C13H26N2O4/c1-11(6-7-12(17)18)10-14-13(19)15(2)8-4-3-5-9-16/h11,16H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDRXQWFXXSGUULY-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.29
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-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559

Frequently Asked Questions

What is the IUPAC name of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (CID 107201655) is 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N(C)CCCCCO.
What is the InChIKey of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is DRXQWFXXSGUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(6-7-12(17)18)10-14-13(19)15(2)8-4-3-5-9-16/h11,16H,3-10H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 107201655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).