3-methyl-4-(pyridin-2-ylamino)butanoic acid

C10H14N2O2 — CID 115219759

IUPAC3-methyl-4-(pyridin-2-ylamino)butanoic acid
SMILESCC(CNc1ccccn1)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(6-10(13)14)7-12-9-4-2-3-5-11-9/h2-5,8H,6-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyVMYCVRVZNKLDBM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.60
Rot. Bonds5

About 3-methyl-4-(pyridin-2-ylamino)butanoic acid

3-methyl-4-(pyridin-2-ylamino)butanoic acid (PubChem CID 115219759) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-methyl-4-(pyridin-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(pyridin-2-ylamino)butanoic acid
PubChem CID115219759
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-methyl-4-(pyridin-2-ylamino)butanoic acid
SMILESCC(CNc1ccccn1)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(6-10(13)14)7-12-9-4-2-3-5-11-9/h2-5,8H,6-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyVMYCVRVZNKLDBM-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea
CID 59493910
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
3-(pyridin-2-ylamino)hexanoic acid
CID 121217127
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
4-[3-methoxy-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3-methylbutanoic acid
CID 142119863
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
(3S)-4-methoxy-4-oxo-3-[3-(pyridin-2-ylamino)propanoylamino]butanoic acid
CID 166386107
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridin-2-ylamino)butanoic acid?
The IUPAC name of 3-methyl-4-(pyridin-2-ylamino)butanoic acid (CID 115219759) is 3-methyl-4-(pyridin-2-ylamino)butanoic acid.
What is the SMILES notation for 3-methyl-4-(pyridin-2-ylamino)butanoic acid?
The canonical SMILES for 3-methyl-4-(pyridin-2-ylamino)butanoic acid is CC(CNc1ccccn1)CC(=O)O.
What is the InChIKey of 3-methyl-4-(pyridin-2-ylamino)butanoic acid?
The InChIKey is VMYCVRVZNKLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(6-10(13)14)7-12-9-4-2-3-5-11-9/h2-5,8H,6-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-4-(pyridin-2-ylamino)butanoic acid?
3-methyl-4-(pyridin-2-ylamino)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridin-2-ylamino)butanoic acid is sourced from PubChem (CID 115219759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).