4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid

C15H21NO5 — CID 62921331

IUPAC4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(OC(C)C)c1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(2)21-12-6-4-5-11(9-12)14(17)16-13(15(18)19)7-8-20-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQNMHYXIUWOLPIX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.69
Rot. Bonds8

About 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid

4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid (PubChem CID 62921331) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
PubChem CID62921331
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(OC(C)C)c1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(2)21-12-6-4-5-11(9-12)14(17)16-13(15(18)19)7-8-20-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQNMHYXIUWOLPIX-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
CID 120703222
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
4-methylsulfanyl-2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62032424
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 120702327

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid (CID 62921331) is 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid is COCCC(NC(=O)c1cccc(OC(C)C)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid?
The InChIKey is QNMHYXIUWOLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)21-12-6-4-5-11(9-12)14(17)16-13(15(18)19)7-8-20-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid?
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 62921331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).