(2R)-2-amino-1,1-dimethoxypropan-1-ol

C5H13NO3 — CID 54496613

IUPAC(2R)-2-amino-1,1-dimethoxypropan-1-ol
SMILESCOC(O)(OC)[C@@H](C)N
InChIInChI=1S/C5H13NO3/c1-4(6)5(7,8-2)9-3/h4,7H,6H2,1-3H3/t4-/m1/s1
InChIKeyXZNXRQQHFYJVDE-SCSAIBSYSA-N
MW135.16 g/mol
LogP-0.73
Rot. Bonds3

About (2R)-2-amino-1,1-dimethoxypropan-1-ol

(2R)-2-amino-1,1-dimethoxypropan-1-ol (PubChem CID 54496613) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is (2R)-2-amino-1,1-dimethoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1,1-dimethoxypropan-1-ol
PubChem CID54496613
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(2R)-2-amino-1,1-dimethoxypropan-1-ol
SMILESCOC(O)(OC)[C@@H](C)N
InChIInChI=1S/C5H13NO3/c1-4(6)5(7,8-2)9-3/h4,7H,6H2,1-3H3/t4-/m1/s1
InChIKeyXZNXRQQHFYJVDE-SCSAIBSYSA-N
XLogP-0.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-sulfanylpropane-1,1-diol
CID 22614078
2-amino-4-methyl-3-propan-2-ylpentan-3-ol
CID 18373819
1,1-dimethoxy-2-methylpentane-1,3-diol
CID 175302560
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
CID 167005628
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
3-methoxy-3-methylpentan-2-amine
CID 116757359
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
1-methoxyethanamine
CID 19353429
trimethoxymethanol
CID 22386239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1,1-dimethoxypropan-1-ol?
The IUPAC name of (2R)-2-amino-1,1-dimethoxypropan-1-ol (CID 54496613) is (2R)-2-amino-1,1-dimethoxypropan-1-ol.
What is the SMILES notation for (2R)-2-amino-1,1-dimethoxypropan-1-ol?
The canonical SMILES for (2R)-2-amino-1,1-dimethoxypropan-1-ol is COC(O)(OC)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-1,1-dimethoxypropan-1-ol?
The InChIKey is XZNXRQQHFYJVDE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-4(6)5(7,8-2)9-3/h4,7H,6H2,1-3H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-1,1-dimethoxypropan-1-ol?
(2R)-2-amino-1,1-dimethoxypropan-1-ol has a molecular weight of 135.16 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1,1-dimethoxypropan-1-ol is sourced from PubChem (CID 54496613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).