(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol

C7H17NO2 — CID 55300150

IUPAC(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC(C)CO
InChIInChI=1S/C7H17NO2/c1-3-7(5-10)8-6(2)4-9/h6-10H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJMWVYWNPBUZINO-MLWJPKLSSA-N
MW147.22 g/mol
LogP-0.27
Rot. Bonds5

About (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol

(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol (PubChem CID 55300150) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
PubChem CID55300150
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC(C)CO
InChIInChI=1S/C7H17NO2/c1-3-7(5-10)8-6(2)4-9/h6-10H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJMWVYWNPBUZINO-MLWJPKLSSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol (CID 55300150) is (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol is CC[C@@H](CO)NC(C)CO.
What is the InChIKey of (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol?
The InChIKey is JMWVYWNPBUZINO-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-7(5-10)8-6(2)4-9/h6-10H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol?
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol has a molecular weight of 147.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 55300150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).