5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid

C9H19NO4 — CID 103261470

IUPAC5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
SMILESCC(CO)(CO)NCCCCC(=O)O
InChIInChI=1S/C9H19NO4/c1-9(6-11,7-12)10-5-3-2-4-8(13)14/h10-12H,2-7H2,1H3,(H,13,14)
InChIKeyRKPICOUPBVYQPI-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.43
Rot. Bonds8

About 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid

5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid (PubChem CID 103261470) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
PubChem CID103261470
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
SMILESCC(CO)(CO)NCCCCC(=O)O
InChIInChI=1S/C9H19NO4/c1-9(6-11,7-12)10-5-3-2-4-8(13)14/h10-12H,2-7H2,1H3,(H,13,14)
InChIKeyRKPICOUPBVYQPI-UHFFFAOYSA-N
XLogP-0.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
CID 115359916
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
CID 87955978
butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
CID 106175375
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid (CID 103261470) is 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid is CC(CO)(CO)NCCCCC(=O)O.
What is the InChIKey of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The InChIKey is RKPICOUPBVYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(6-11,7-12)10-5-3-2-4-8(13)14/h10-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 103261470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).