4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid

C16H33NO4 — CID 129177449

IUPAC4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
SMILESCC(C)(CCO)NC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C16H33NO4/c1-14(2,9-11-18)17-15(3,4)10-12-21-16(5,6)8-7-13(19)20/h17-18H,7-12H2,1-6H3,(H,19,20)
InChIKeyBEVIWMDOTHCHHY-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.57
Rot. Bonds11

About 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid

4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid (PubChem CID 129177449) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
PubChem CID129177449
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
SMILESCC(C)(CCO)NC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C16H33NO4/c1-14(2,9-11-18)17-15(3,4)10-12-21-16(5,6)8-7-13(19)20/h17-18H,7-12H2,1-6H3,(H,19,20)
InChIKeyBEVIWMDOTHCHHY-UHFFFAOYSA-N
XLogP2.57
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
4-[3-[(5-amino-3,4-diiodohexa-1,5-dien-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129157443
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-methyl-4-[(2-methyl-1-nitrooxypropan-2-yl)amino]pentanoic acid
CID 88612562
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
CID 165493841

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid?
The IUPAC name of 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid (CID 129177449) is 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid is CC(C)(CCO)NC(C)(C)CCOC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid?
The InChIKey is BEVIWMDOTHCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-14(2,9-11-18)17-15(3,4)10-12-21-16(5,6)8-7-13(19)20/h17-18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid?
4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid has a molecular weight of 303.44 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid is sourced from PubChem (CID 129177449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).