azane;5-hydroxy-2,2-dimethylpentanoic acid

C7H17NO3 — CID 172678902

IUPACazane;5-hydroxy-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCO)C(=O)O.N
InChIInChI=1S/C7H14O3.H3N/c1-7(2,6(9)10)4-3-5-8;/h8H,3-5H2,1-2H3,(H,9,10);1H3
InChIKeyACSYDTJTJNMHDI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.03
Rot. Bonds4

About azane;5-hydroxy-2,2-dimethylpentanoic acid

azane;5-hydroxy-2,2-dimethylpentanoic acid (PubChem CID 172678902) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is azane;5-hydroxy-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Nameazane;5-hydroxy-2,2-dimethylpentanoic acid
PubChem CID172678902
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameazane;5-hydroxy-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCO)C(=O)O.N
InChIInChI=1S/C7H14O3.H3N/c1-7(2,6(9)10)4-3-5-8;/h8H,3-5H2,1-2H3,(H,9,10);1H3
InChIKeyACSYDTJTJNMHDI-UHFFFAOYSA-N
XLogP1.03
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
5-hydroxy-2,2-dimethylpentanethioic S-acid
CID 87178053
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyl-6-oxoheptanoic acid
CID 3083567
acetic acid;azane;butane-1,4-diol
CID 175568117
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
8-chloro-2,2-dimethyloctanoic acid
CID 88681870
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of azane;5-hydroxy-2,2-dimethylpentanoic acid?
The IUPAC name of azane;5-hydroxy-2,2-dimethylpentanoic acid (CID 172678902) is azane;5-hydroxy-2,2-dimethylpentanoic acid.
What is the SMILES notation for azane;5-hydroxy-2,2-dimethylpentanoic acid?
The canonical SMILES for azane;5-hydroxy-2,2-dimethylpentanoic acid is CC(C)(CCCO)C(=O)O.N.
What is the InChIKey of azane;5-hydroxy-2,2-dimethylpentanoic acid?
The InChIKey is ACSYDTJTJNMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.H3N/c1-7(2,6(9)10)4-3-5-8;/h8H,3-5H2,1-2H3,(H,9,10);1H3.
What are the key properties of azane;5-hydroxy-2,2-dimethylpentanoic acid?
azane;5-hydroxy-2,2-dimethylpentanoic acid has a molecular weight of 163.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-hydroxy-2,2-dimethylpentanoic acid is sourced from PubChem (CID 172678902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).