4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid

C10H21NO3 — CID 79254254

IUPAC4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(CO)C(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)9(6-12)11-8(3)4-5-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyBMKSFEWRKHQEDG-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.85
Rot. Bonds7

About 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid

4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid (PubChem CID 79254254) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
PubChem CID79254254
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(CO)C(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)9(6-12)11-8(3)4-5-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyBMKSFEWRKHQEDG-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
CID 87751829
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
4-methylpentanoic acid;2-methylpropan-1-ol;hydrate
CID 87856192
5-(propan-2-ylamino)hexanoic acid
CID 82848277
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanenitrile
CID 79248876

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid?
The IUPAC name of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid (CID 79254254) is 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid is CC(CCC(=O)O)NC(CO)C(C)C.
What is the InChIKey of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid?
The InChIKey is BMKSFEWRKHQEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(2)9(6-12)11-8(3)4-5-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid?
4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 79254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).