(2S)-3-amino-2-methylpropan-1-ol

C4H11NO — CID 640990

IUPAC(2S)-3-amino-2-methylpropan-1-ol
SMILESC[C@@H](CN)CO
InChIInChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKeyFVXBTPGZQMNAEZ-BYPYZUCNSA-N
MW89.14 g/mol
LogP-0.43
Rot. Bonds2

About (2S)-3-amino-2-methylpropan-1-ol

(2S)-3-amino-2-methylpropan-1-ol (PubChem CID 640990) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is (2S)-3-amino-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-methylpropan-1-ol
PubChem CID640990
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name(2S)-3-amino-2-methylpropan-1-ol
SMILESC[C@@H](CN)CO
InChIInChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKeyFVXBTPGZQMNAEZ-BYPYZUCNSA-N
XLogP-0.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1-propanol
CID 9086
1-Propanol, 3-amino-2,2-dimethyl-
CID 117326
4-Amino-2-methyl-1-butanol
CID 10129911
3-Amino-2-methyl-1-propanol
CID 10197625
2-Aminomethyl-1,3-propanediol
CID 10176108
4-Amino-3-methylbutan-1-ol
CID 11332423
(R)-4-Amino-2-methyl-1-butanol
CID 11457670
3-Amino-2-methylbutan-1-ol
CID 12542086
(2R)-3-amino-2-methylpropan-1-ol
CID 13906733
2-(Aminomethyl)butan-1-ol
CID 15356533
3-Amino-2-methyl-propan-1-ol hydrochloride
CID 42614513
2-(Aminomethyl)-3-methylbutan-1-ol
CID 55288998

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-amino-2-methylpropan-1-ol (CID 640990) is (2S)-3-amino-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-amino-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-amino-2-methylpropan-1-ol is C[C@@H](CN)CO.
What is the InChIKey of (2S)-3-amino-2-methylpropan-1-ol?
The InChIKey is FVXBTPGZQMNAEZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-3-amino-2-methylpropan-1-ol?
(2S)-3-amino-2-methylpropan-1-ol has a molecular weight of 89.14 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-methylpropan-1-ol is sourced from PubChem (CID 640990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).