2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid

C10H21NO3 — CID 83041748

IUPAC2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
SMILESCCCC(NCC(C)CCO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-9(10(13)14)11-7-8(2)5-6-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBGOKSFWFLQSWSM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.85
Rot. Bonds8

About 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid

2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid (PubChem CID 83041748) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
PubChem CID83041748
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
SMILESCCCC(NCC(C)CCO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-9(10(13)14)11-7-8(2)5-6-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBGOKSFWFLQSWSM-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

4-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 123309007
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
CID 66107045
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
CID 122039739

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid?
The IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid (CID 83041748) is 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid is CCCC(NCC(C)CCO)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid?
The InChIKey is BGOKSFWFLQSWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-9(10(13)14)11-7-8(2)5-6-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid?
2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid is sourced from PubChem (CID 83041748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).