2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid

C14H20N2O3 — CID 43529648

IUPAC2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid
SMILESCC(C)C(C)(CC(=O)NCc1ccccn1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(2)14(3,13(18)19)8-12(17)16-9-11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXZYNHJKVTFPWKP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds6

About 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid

2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid (PubChem CID 43529648) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid
PubChem CID43529648
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid
SMILESCC(C)C(C)(CC(=O)NCc1ccccn1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(2)14(3,13(18)19)8-12(17)16-9-11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXZYNHJKVTFPWKP-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1,2-oxazol-3-ylmethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 81170966
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid?
The IUPAC name of 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid (CID 43529648) is 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid is CC(C)C(C)(CC(=O)NCc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid?
The InChIKey is XZYNHJKVTFPWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)14(3,13(18)19)8-12(17)16-9-11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid?
2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid is sourced from PubChem (CID 43529648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).