3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

C14H17N3O5 — CID 119351118

IUPAC3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NCCC(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C14H17N3O5/c1-22-11-3-2-9(13(20)15-5-4-12(18)19)8-10(11)17-7-6-16-14(17)21/h2-3,8H,4-7H2,1H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyMMTNRRJGCUKHAO-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.43
Rot. Bonds6

About 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 119351118) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
PubChem CID119351118
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NCCC(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C14H17N3O5/c1-22-11-3-2-9(13(20)15-5-4-12(18)19)8-10(11)17-7-6-16-14(17)21/h2-3,8H,4-7H2,1H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyMMTNRRJGCUKHAO-UHFFFAOYSA-N
XLogP0.43
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
3-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethoxy]propanoic acid
CID 171800273
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (CID 119351118) is 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is COc1ccc(C(=O)NCCC(=O)O)cc1N1CCNC1=O.
What is the InChIKey of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is MMTNRRJGCUKHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-22-11-3-2-9(13(20)15-5-4-12(18)19)8-10(11)17-7-6-16-14(17)21/h2-3,8H,4-7H2,1H3,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 307.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119351118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).