3-methylbutanoic acid;pyridin-3-amine

C10H16N2O2 — CID 143630380

IUPAC3-methylbutanoic acid;pyridin-3-amine
SMILESCC(C)CC(=O)O.Nc1cccnc1
InChIInChI=1S/C5H6N2.C5H10O2/c6-5-2-1-3-7-4-5;1-4(2)3-5(6)7/h1-4H,6H2;4H,3H2,1-2H3,(H,6,7)
InChIKeySDRMIFMFLAIMED-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.78
Rot. Bonds2

About 3-methylbutanoic acid;pyridin-3-amine

3-methylbutanoic acid;pyridin-3-amine (PubChem CID 143630380) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methylbutanoic acid;pyridin-3-amine.

Molecular Properties

Compound Name3-methylbutanoic acid;pyridin-3-amine
PubChem CID143630380
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methylbutanoic acid;pyridin-3-amine
SMILESCC(C)CC(=O)O.Nc1cccnc1
InChIInChI=1S/C5H6N2.C5H10O2/c6-5-2-1-3-7-4-5;1-4(2)3-5(6)7/h1-4H,6H2;4H,3H2,1-2H3,(H,6,7)
InChIKeySDRMIFMFLAIMED-UHFFFAOYSA-N
XLogP1.78
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

hydrogen peroxide;pyridin-3-amine
CID 87884226
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
iron;pyridin-3-amine
CID 174751178
bis(pyridin-3-amine);hydrate
CID 172803625
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
CID 70115817
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600

Frequently Asked Questions

What is the IUPAC name of 3-methylbutanoic acid;pyridin-3-amine?
The IUPAC name of 3-methylbutanoic acid;pyridin-3-amine (CID 143630380) is 3-methylbutanoic acid;pyridin-3-amine.
What is the SMILES notation for 3-methylbutanoic acid;pyridin-3-amine?
The canonical SMILES for 3-methylbutanoic acid;pyridin-3-amine is CC(C)CC(=O)O.Nc1cccnc1.
What is the InChIKey of 3-methylbutanoic acid;pyridin-3-amine?
The InChIKey is SDRMIFMFLAIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C5H10O2/c6-5-2-1-3-7-4-5;1-4(2)3-5(6)7/h1-4H,6H2;4H,3H2,1-2H3,(H,6,7).
What are the key properties of 3-methylbutanoic acid;pyridin-3-amine?
3-methylbutanoic acid;pyridin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanoic acid;pyridin-3-amine is sourced from PubChem (CID 143630380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).