2-[(3-propoxybenzoyl)amino]butanoic acid

C14H19NO4 — CID 62920008

IUPAC2-[(3-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1cccc(C(=O)NC(CC)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-8-19-11-7-5-6-10(9-11)13(16)15-12(4-2)14(17)18/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRXLXQISNBOIWOA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds7

About 2-[(3-propoxybenzoyl)amino]butanoic acid

2-[(3-propoxybenzoyl)amino]butanoic acid (PubChem CID 62920008) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-propoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-propoxybenzoyl)amino]butanoic acid
PubChem CID62920008
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(3-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1cccc(C(=O)NC(CC)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-8-19-11-7-5-6-10(9-11)13(16)15-12(4-2)14(17)18/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRXLXQISNBOIWOA-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
4-methylsulfanyl-2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62032424
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
CID 110496617
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
CID 106184785
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxybenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(3-propoxybenzoyl)amino]butanoic acid (CID 62920008) is 2-[(3-propoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-propoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(3-propoxybenzoyl)amino]butanoic acid is CCCOc1cccc(C(=O)NC(CC)C(=O)O)c1.
What is the InChIKey of 2-[(3-propoxybenzoyl)amino]butanoic acid?
The InChIKey is RXLXQISNBOIWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-8-19-11-7-5-6-10(9-11)13(16)15-12(4-2)14(17)18/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-propoxybenzoyl)amino]butanoic acid?
2-[(3-propoxybenzoyl)amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 62920008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).