[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate

C6H14N2O3 — CID 54244503

IUPAC[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate
SMILESNCCC(=O)OC[C@H](N)CO
InChIInChI=1S/C6H14N2O3/c7-2-1-6(10)11-4-5(8)3-9/h5,9H,1-4,7-8H2/t5-/m1/s1
InChIKeyQSHLACUUSQVQJI-RXMQYKEDSA-N
MW162.19 g/mol
LogP-1.80
Rot. Bonds5

About [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate

[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate (PubChem CID 54244503) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate.

Molecular Properties

Compound Name[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate
PubChem CID54244503
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate
SMILESNCCC(=O)OC[C@H](N)CO
InChIInChI=1S/C6H14N2O3/c7-2-1-6(10)11-4-5(8)3-9/h5,9H,1-4,7-8H2/t5-/m1/s1
InChIKeyQSHLACUUSQVQJI-RXMQYKEDSA-N
XLogP-1.80
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 3-aminopropanoate
CID 22321350
bis(3-hydroxy-2-methylpropyl) butanedioate
CID 58942758
[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
CID 71612733
but-3-ynyl 3-aminopropanoate
CID 50938564
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2-bromoethyl 3-aminopropanoate
CID 15703163
[3-(3-aminopropanoyloxy)-2-tetradecanoyloxypropyl] tetradecanoate
CID 174216214
3-aminopropanoyl 3-aminobutaneperoxoate
CID 177190479
2,3-dihydroxypropyl butanoate
CID 175822551
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
2-methylpropyl 3-fluoropropanoate
CID 140916120

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate?
The IUPAC name of [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate (CID 54244503) is [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate.
What is the SMILES notation for [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate?
The canonical SMILES for [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate is NCCC(=O)OC[C@H](N)CO.
What is the InChIKey of [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate?
The InChIKey is QSHLACUUSQVQJI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-2-1-6(10)11-4-5(8)3-9/h5,9H,1-4,7-8H2/t5-/m1/s1.
What are the key properties of [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate?
[(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate has a molecular weight of 162.19 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-hydroxypropyl] 3-aminopropanoate is sourced from PubChem (CID 54244503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).