(3-amino-4-hydroxybutyl)carbamic acid

C5H12N2O3 — CID 129243477

IUPAC(3-amino-4-hydroxybutyl)carbamic acid
SMILESNC(CO)CCNC(=O)O
InChIInChI=1S/C5H12N2O3/c6-4(3-8)1-2-7-5(9)10/h4,7-8H,1-3,6H2,(H,9,10)
InChIKeyCVCDCSABNZRHSW-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.04
Rot. Bonds4

About (3-amino-4-hydroxybutyl)carbamic acid

(3-amino-4-hydroxybutyl)carbamic acid (PubChem CID 129243477) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3-amino-4-hydroxybutyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-4-hydroxybutyl)carbamic acid
PubChem CID129243477
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(3-amino-4-hydroxybutyl)carbamic acid
SMILESNC(CO)CCNC(=O)O
InChIInChI=1S/C5H12N2O3/c6-4(3-8)1-2-7-5(9)10/h4,7-8H,1-3,6H2,(H,9,10)
InChIKeyCVCDCSABNZRHSW-UHFFFAOYSA-N
XLogP-1.04
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-4-amino-5-hydroxypentyl]carbamic acid
CID 87488946
[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
CID 87694263
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
[4-amino-3,4-bis(sulfanyl)butyl]carbamic acid
CID 175220090
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122
4-amino-5-hydroxypentanoic acid
CID 162240530
4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
CID 131955130
3,3-bis(dimethylsilyl)propylcarbamic acid
CID 173292919
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
[4-amino-5-(methanesulfonamido)pentyl]carbamic acid
CID 150141641
3,3-diethoxypropylcarbamic acid
CID 21075732
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-hydroxybutyl)carbamic acid?
The IUPAC name of (3-amino-4-hydroxybutyl)carbamic acid (CID 129243477) is (3-amino-4-hydroxybutyl)carbamic acid.
What is the SMILES notation for (3-amino-4-hydroxybutyl)carbamic acid?
The canonical SMILES for (3-amino-4-hydroxybutyl)carbamic acid is NC(CO)CCNC(=O)O.
What is the InChIKey of (3-amino-4-hydroxybutyl)carbamic acid?
The InChIKey is CVCDCSABNZRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c6-4(3-8)1-2-7-5(9)10/h4,7-8H,1-3,6H2,(H,9,10).
What are the key properties of (3-amino-4-hydroxybutyl)carbamic acid?
(3-amino-4-hydroxybutyl)carbamic acid has a molecular weight of 148.16 g/mol, XLogP of -1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxybutyl)carbamic acid is sourced from PubChem (CID 129243477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).