2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid

C14H18N2O5 — CID 65218079

IUPAC2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(OCC(N)=O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-9(14(19)20)7-16-13(18)10-3-5-11(6-4-10)21-8-12(15)17/h3-6,9H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyBJIMQYWJZITKLY-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.39
Rot. Bonds8

About 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid

2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid (PubChem CID 65218079) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
PubChem CID65218079
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(OCC(N)=O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-9(14(19)20)7-16-13(18)10-3-5-11(6-4-10)21-8-12(15)17/h3-6,9H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyBJIMQYWJZITKLY-UHFFFAOYSA-N
XLogP0.39
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 2-ethylbutanoate
CID 19298228
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242302
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid (CID 65218079) is 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(OCC(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid?
The InChIKey is BJIMQYWJZITKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-9(14(19)20)7-16-13(18)10-3-5-11(6-4-10)21-8-12(15)17/h3-6,9H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid?
2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65218079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).