5-hydroxypentyl(methyl)carbamic acid

C7H15NO3 — CID 90197062

IUPAC5-hydroxypentyl(methyl)carbamic acid
SMILESCN(CCCCCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-8(7(10)11)5-3-2-4-6-9/h9H,2-6H2,1H3,(H,10,11)
InChIKeyIACHGIONTZVEKD-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.76
Rot. Bonds5

About 5-hydroxypentyl(methyl)carbamic acid

5-hydroxypentyl(methyl)carbamic acid (PubChem CID 90197062) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-hydroxypentyl(methyl)carbamic acid.

Molecular Properties

Compound Name5-hydroxypentyl(methyl)carbamic acid
PubChem CID90197062
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name5-hydroxypentyl(methyl)carbamic acid
SMILESCN(CCCCCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-8(7(10)11)5-3-2-4-6-9/h9H,2-6H2,1H3,(H,10,11)
InChIKeyIACHGIONTZVEKD-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(methyl)carbamic acid
CID 15173799
3-(3-hydroxypropylamino)propyl-methylcarbamic acid
CID 174166438
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-iodopropyl(methyl)carbamic acid
CID 21077788
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
heptane-1,7-diol;oxalic acid
CID 175705321
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl(methyl)carbamic acid?
The IUPAC name of 5-hydroxypentyl(methyl)carbamic acid (CID 90197062) is 5-hydroxypentyl(methyl)carbamic acid.
What is the SMILES notation for 5-hydroxypentyl(methyl)carbamic acid?
The canonical SMILES for 5-hydroxypentyl(methyl)carbamic acid is CN(CCCCCO)C(=O)O.
What is the InChIKey of 5-hydroxypentyl(methyl)carbamic acid?
The InChIKey is IACHGIONTZVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(7(10)11)5-3-2-4-6-9/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-hydroxypentyl(methyl)carbamic acid?
5-hydroxypentyl(methyl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl(methyl)carbamic acid is sourced from PubChem (CID 90197062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).