5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid

C12H26N2O4 — CID 174765019

IUPAC5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
SMILESCC(C(=O)O)N(C)C.CC(C)(CCCN)C(=O)O
InChIInChI=1S/C7H15NO2.C5H11NO2/c1-7(2,6(9)10)4-3-5-8;1-4(5(7)8)6(2)3/h3-5,8H2,1-2H3,(H,9,10);4H,1-3H3,(H,7,8)
InChIKeyKPYTWIHBXQAUSI-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.86
Rot. Bonds6

About 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid

5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid (PubChem CID 174765019) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
PubChem CID174765019
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
SMILESCC(C(=O)O)N(C)C.CC(C)(CCCN)C(=O)O
InChIInChI=1S/C7H15NO2.C5H11NO2/c1-7(2,6(9)10)4-3-5-8;1-4(5(7)8)6(2)3/h3-5,8H2,1-2H3,(H,9,10);4H,1-3H3,(H,7,8)
InChIKeyKPYTWIHBXQAUSI-UHFFFAOYSA-N
XLogP0.86
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
CID 65254940
2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
CID 174301541
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
CID 173163481

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid?
The IUPAC name of 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid (CID 174765019) is 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid.
What is the SMILES notation for 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid?
The canonical SMILES for 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid is CC(C(=O)O)N(C)C.CC(C)(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid?
The InChIKey is KPYTWIHBXQAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C5H11NO2/c1-7(2,6(9)10)4-3-5-8;1-4(5(7)8)6(2)3/h3-5,8H2,1-2H3,(H,9,10);4H,1-3H3,(H,7,8).
What are the key properties of 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid?
5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid is sourced from PubChem (CID 174765019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).