(2R)-2-aminobutane-1,1-diol

C4H11NO2 — CID 148517870

IUPAC(2R)-2-aminobutane-1,1-diol
SMILESCC[C@@H](N)C(O)O
InChIInChI=1S/C4H11NO2/c1-2-3(5)4(6)7/h3-4,6-7H,2,5H2,1H3/t3-/m1/s1
InChIKeyMNUPQNLRUOASLG-GSVOUGTGSA-N
MW105.14 g/mol
LogP-0.97
Rot. Bonds2

About (2R)-2-aminobutane-1,1-diol

(2R)-2-aminobutane-1,1-diol (PubChem CID 148517870) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is (2R)-2-aminobutane-1,1-diol.

Molecular Properties

Compound Name(2R)-2-aminobutane-1,1-diol
PubChem CID148517870
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name(2R)-2-aminobutane-1,1-diol
SMILESCC[C@@H](N)C(O)O
InChIInChI=1S/C4H11NO2/c1-2-3(5)4(6)7/h3-4,6-7H,2,5H2,1H3/t3-/m1/s1
InChIKeyMNUPQNLRUOASLG-GSVOUGTGSA-N
XLogP-0.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexane-3,4-diamine
CID 12656175
(3R,4S)-4-aminohexan-3-ol
CID 640991
3-amino-1-fluoropentan-2-ol
CID 10772967
1-aminopropan-1-ol;hydrochloride
CID 18547293
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
(4S)-1,4-diaminohexan-3-ol
CID 149307886
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
(2S)-2-aminoheptane-1,1-diol
CID 166719915
5-amino-2-methylheptan-4-ol
CID 21419745
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
(2S)-1,2-diaminopentan-3-ol
CID 129142351
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutane-1,1-diol?
The IUPAC name of (2R)-2-aminobutane-1,1-diol (CID 148517870) is (2R)-2-aminobutane-1,1-diol.
What is the SMILES notation for (2R)-2-aminobutane-1,1-diol?
The canonical SMILES for (2R)-2-aminobutane-1,1-diol is CC[C@@H](N)C(O)O.
What is the InChIKey of (2R)-2-aminobutane-1,1-diol?
The InChIKey is MNUPQNLRUOASLG-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H11NO2/c1-2-3(5)4(6)7/h3-4,6-7H,2,5H2,1H3/t3-/m1/s1.
What are the key properties of (2R)-2-aminobutane-1,1-diol?
(2R)-2-aminobutane-1,1-diol has a molecular weight of 105.14 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutane-1,1-diol is sourced from PubChem (CID 148517870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).