(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol

C10H23NO — CID 28724744

IUPAC(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H](C)[C@H](C)CC
InChIInChI=1S/C10H23NO/c1-5-8(3)9(4)11-10(6-2)7-12/h8-12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyGXACJCPLVLALIC-UTLUCORTSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol

(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol (PubChem CID 28724744) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
PubChem CID28724744
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H](C)[C@H](C)CC
InChIInChI=1S/C10H23NO/c1-5-8(3)9(4)11-10(6-2)7-12/h8-12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyGXACJCPLVLALIC-UTLUCORTSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S,3R)-3-methylpentan-2-yl]amino]propane-1,3-diol
CID 96980583
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
3-(1-hydroxybutan-2-ylamino)-2-methylbutanoic acid
CID 79392374
3-(3-methylpentan-2-ylamino)pentanenitrile
CID 61463482
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
3-ethyl-N-(3-methylpentan-2-yl)pentan-2-amine
CID 63841917
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol (CID 28724744) is (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol is CC[C@@H](CO)N[C@@H](C)[C@H](C)CC.
What is the InChIKey of (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol?
The InChIKey is GXACJCPLVLALIC-UTLUCORTSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-8(3)9(4)11-10(6-2)7-12/h8-12H,5-7H2,1-4H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol?
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 28724744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).