[(2S)-2,3-dihydroxypropyl] carbamate

C4H9NO4 — CID 141178909

IUPAC[(2S)-2,3-dihydroxypropyl] carbamate
SMILESNC(=O)OC[C@@H](O)CO
InChIInChI=1S/C4H9NO4/c5-4(8)9-2-3(7)1-6/h3,6-7H,1-2H2,(H2,5,8)/t3-/m0/s1
InChIKeyARKJJRYSZYFUNJ-VKHMYHEASA-N
MW135.12 g/mol
LogP-1.57
Rot. Bonds3

About [(2S)-2,3-dihydroxypropyl] carbamate

[(2S)-2,3-dihydroxypropyl] carbamate (PubChem CID 141178909) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] carbamate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] carbamate
PubChem CID141178909
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name[(2S)-2,3-dihydroxypropyl] carbamate
SMILESNC(=O)OC[C@@H](O)CO
InChIInChI=1S/C4H9NO4/c5-4(8)9-2-3(7)1-6/h3,6-7H,1-2H2,(H2,5,8)/t3-/m0/s1
InChIKeyARKJJRYSZYFUNJ-VKHMYHEASA-N
XLogP-1.57
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-hydroxypropyl) carbamate
CID 87536011
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
copper;2,3-dihydroxypropyl acetate
CID 175414462
sodium 2,3-dihydroxypropyl carbonate
CID 174410448
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
propane-1,2,3-triol;urea;hydrate
CID 174420698
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl] carbamate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] carbamate (CID 141178909) is [(2S)-2,3-dihydroxypropyl] carbamate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] carbamate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] carbamate is NC(=O)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] carbamate?
The InChIKey is ARKJJRYSZYFUNJ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO4/c5-4(8)9-2-3(7)1-6/h3,6-7H,1-2H2,(H2,5,8)/t3-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] carbamate?
[(2S)-2,3-dihydroxypropyl] carbamate has a molecular weight of 135.12 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] carbamate is sourced from PubChem (CID 141178909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).