2,3-dihydroxypropyl N-(2-aminoethyl)carbamate

C6H14N2O4 — CID 139478100

IUPAC2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC(O)CO
InChIInChI=1S/C6H14N2O4/c7-1-2-8-6(11)12-4-5(10)3-9/h5,9-10H,1-4,7H2,(H,8,11)
InChIKeyFFYBGTWZTUYEEO-UHFFFAOYSA-N
MW178.19 g/mol
LogP-1.98
Rot. Bonds5

About 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate

2,3-dihydroxypropyl N-(2-aminoethyl)carbamate (PubChem CID 139478100) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
PubChem CID139478100
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC(O)CO
InChIInChI=1S/C6H14N2O4/c7-1-2-8-6(11)12-4-5(10)3-9/h5,9-10H,1-4,7H2,(H,8,11)
InChIKeyFFYBGTWZTUYEEO-UHFFFAOYSA-N
XLogP-1.98
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
CID 155479234
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
[3-[3-[3-[3-[3-[3-[bis(2,3,4,6-tetrahydroxyhexyl)amino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] N-(2-aminoethyl)carbamate;ethane
CID 177177420
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
sodium 2,3-dihydroxypropyl carbonate
CID 174410448
[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
CID 138396991
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate
CID 163082500
ethyl N-[2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl]carbamate
CID 139583363
2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
CID 173355847
methyl N-[2-[2-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]ethyl]carbamate
CID 22886573
copper;2,3-dihydroxypropyl acetate
CID 175414462

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate?
The IUPAC name of 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate (CID 139478100) is 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate?
The InChIKey is FFYBGTWZTUYEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c7-1-2-8-6(11)12-4-5(10)3-9/h5,9-10H,1-4,7H2,(H,8,11).
What are the key properties of 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate?
2,3-dihydroxypropyl N-(2-aminoethyl)carbamate has a molecular weight of 178.19 g/mol, XLogP of -1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 139478100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).