(3-amino-2-hydroxypropyl) carbamate

C4H10N2O3 — CID 87536011

IUPAC(3-amino-2-hydroxypropyl) carbamate
SMILESNCC(O)COC(N)=O
InChIInChI=1S/C4H10N2O3/c5-1-3(7)2-9-4(6)8/h3,7H,1-2,5H2,(H2,6,8)
InChIKeyTVPIAALDTITQQT-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.60
Rot. Bonds3

About (3-amino-2-hydroxypropyl) carbamate

(3-amino-2-hydroxypropyl) carbamate (PubChem CID 87536011) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl) carbamate.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl) carbamate
PubChem CID87536011
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name(3-amino-2-hydroxypropyl) carbamate
SMILESNCC(O)COC(N)=O
InChIInChI=1S/C4H10N2O3/c5-1-3(7)2-9-4(6)8/h3,7H,1-2,5H2,(H2,6,8)
InChIKeyTVPIAALDTITQQT-UHFFFAOYSA-N
XLogP-1.60
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
(3-amino-2-hydroxypropyl) hypochlorite
CID 129235335
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
2-iodopropyl carbamate
CID 87289235
(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
(3S)-4-amino-3-hydroxybutanamide;(3R)-3-hydroxypentanamide
CID 161102604
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl) carbamate?
The IUPAC name of (3-amino-2-hydroxypropyl) carbamate (CID 87536011) is (3-amino-2-hydroxypropyl) carbamate.
What is the SMILES notation for (3-amino-2-hydroxypropyl) carbamate?
The canonical SMILES for (3-amino-2-hydroxypropyl) carbamate is NCC(O)COC(N)=O.
What is the InChIKey of (3-amino-2-hydroxypropyl) carbamate?
The InChIKey is TVPIAALDTITQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c5-1-3(7)2-9-4(6)8/h3,7H,1-2,5H2,(H2,6,8).
What are the key properties of (3-amino-2-hydroxypropyl) carbamate?
(3-amino-2-hydroxypropyl) carbamate has a molecular weight of 134.14 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl) carbamate is sourced from PubChem (CID 87536011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).