3-(3-hydroxypropylamino)propyl-methylcarbamic acid

C8H18N2O3 — CID 174166438

IUPAC3-(3-hydroxypropylamino)propyl-methylcarbamic acid
SMILESCN(CCCNCCCO)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-10(8(12)13)6-2-4-9-5-3-7-11/h9,11H,2-7H2,1H3,(H,12,13)
InChIKeyOVKTWUZBROKDDS-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.04
Rot. Bonds7

About 3-(3-hydroxypropylamino)propyl-methylcarbamic acid

3-(3-hydroxypropylamino)propyl-methylcarbamic acid (PubChem CID 174166438) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)propyl-methylcarbamic acid.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)propyl-methylcarbamic acid
PubChem CID174166438
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-(3-hydroxypropylamino)propyl-methylcarbamic acid
SMILESCN(CCCNCCCO)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-10(8(12)13)6-2-4-9-5-3-7-11/h9,11H,2-7H2,1H3,(H,12,13)
InChIKeyOVKTWUZBROKDDS-UHFFFAOYSA-N
XLogP-0.04
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.04
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

5-hydroxypentyl(methyl)carbamic acid
CID 90197062
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
3-iodopropyl(methyl)carbamic acid
CID 21077788
hexadecyl(methyl)carbamic acid
CID 15173799
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
CID 87162981
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylamino)propyl-methylcarbamic acid?
The IUPAC name of 3-(3-hydroxypropylamino)propyl-methylcarbamic acid (CID 174166438) is 3-(3-hydroxypropylamino)propyl-methylcarbamic acid.
What is the SMILES notation for 3-(3-hydroxypropylamino)propyl-methylcarbamic acid?
The canonical SMILES for 3-(3-hydroxypropylamino)propyl-methylcarbamic acid is CN(CCCNCCCO)C(=O)O.
What is the InChIKey of 3-(3-hydroxypropylamino)propyl-methylcarbamic acid?
The InChIKey is OVKTWUZBROKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-10(8(12)13)6-2-4-9-5-3-7-11/h9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-(3-hydroxypropylamino)propyl-methylcarbamic acid?
3-(3-hydroxypropylamino)propyl-methylcarbamic acid has a molecular weight of 190.24 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)propyl-methylcarbamic acid is sourced from PubChem (CID 174166438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).