4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid

C12H16N2O4 — CID 61379431

IUPAC4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
SMILESCC(C)Oc1ncccc1NC(=O)CCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(2)18-12-9(4-3-7-13-12)14-10(15)5-6-11(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDXXUIHAPPUFEQT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.67
Rot. Bonds6

About 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid

4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid (PubChem CID 61379431) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
PubChem CID61379431
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
SMILESCC(C)Oc1ncccc1NC(=O)CCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(2)18-12-9(4-3-7-13-12)14-10(15)5-6-11(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDXXUIHAPPUFEQT-UHFFFAOYSA-N
XLogP1.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 79479427
4-amino-3-methoxy-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 103155628
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
2-(1-aminocyclohexyl)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 64677402
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid (CID 61379431) is 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid is CC(C)Oc1ncccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid?
The InChIKey is DXXUIHAPPUFEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)18-12-9(4-3-7-13-12)14-10(15)5-6-11(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid?
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 61379431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).