(2R)-3-aminopropane-1,2-diol

C3H9NO2 — CID 6994409

IUPAC(2R)-3-aminopropane-1,2-diol
SMILESNC[C@@H](O)CO
InChIInChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m1/s1
InChIKeyKQIGMPWTAHJUMN-GSVOUGTGSA-N
MW91.11 g/mol
LogP-1.70
Rot. Bonds2

About (2R)-3-aminopropane-1,2-diol

(2R)-3-aminopropane-1,2-diol (PubChem CID 6994409) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is (2R)-3-aminopropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-aminopropane-1,2-diol
PubChem CID6994409
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name(2R)-3-aminopropane-1,2-diol
SMILESNC[C@@H](O)CO
InChIInChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m1/s1
InChIKeyKQIGMPWTAHJUMN-GSVOUGTGSA-N
XLogP-1.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1,2-propanediol
CID 73561
1-Amino-3-(aminooxy)propan-2-ol
CID 13273093
(S)1-Amino-3-aminooxy-propan-2-ol
CID 13273094
(R)1-Amino-3-aminooxy-propan-2-ol
CID 13273095
1-Amino-3-aminooxypropan-2-ol;dihydrochloride
CID 20488683
1-Amino-3-methoxypropan-2-ol
CID 124510
3-Amino-1,2-propanediol, (S)-
CID 440902
4-Amino-1,2-butanediol
CID 14325610
1-Aminobutane-2,3-diol
CID 14325614
(2R)-1-amino-3-methoxypropan-2-ol
CID 1891101
meso-1,4-Diamino-2,3-butanediol dihydrochloride
CID 16218442
(2S)-3-aminopropane-1,2-diol hydrochloride
CID 53487907

Frequently Asked Questions

What is the IUPAC name of (2R)-3-aminopropane-1,2-diol?
The IUPAC name of (2R)-3-aminopropane-1,2-diol (CID 6994409) is (2R)-3-aminopropane-1,2-diol.
What is the SMILES notation for (2R)-3-aminopropane-1,2-diol?
The canonical SMILES for (2R)-3-aminopropane-1,2-diol is NC[C@@H](O)CO.
What is the InChIKey of (2R)-3-aminopropane-1,2-diol?
The InChIKey is KQIGMPWTAHJUMN-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m1/s1.
What are the key properties of (2R)-3-aminopropane-1,2-diol?
(2R)-3-aminopropane-1,2-diol has a molecular weight of 91.11 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-aminopropane-1,2-diol is sourced from PubChem (CID 6994409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).