2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

C17H20ClN3O5 — CID 120547529

IUPAC2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C17H20ClN3O5/c18-12-4-3-10(8-13(12)21-6-5-19-17(21)25)15(22)20-14(16(23)24)11-2-1-7-26-9-11/h3-4,8,11,14H,1-2,5-7,9H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyDJIUHJFYAKWDLK-UHFFFAOYSA-N
MW381.82 g/mol
LogP1.48
Rot. Bonds5

About 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547529) has the molecular formula C17H20ClN3O5 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547529
Molecular FormulaC17H20ClN3O5
Molecular Weight381.82 g/mol
Exact Mass381.11
IUPAC Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C17H20ClN3O5/c18-12-4-3-10(8-13(12)21-6-5-19-17(21)25)15(22)20-14(16(23)24)11-2-1-7-26-9-11/h3-4,8,11,14H,1-2,5-7,9H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyDJIUHJFYAKWDLK-UHFFFAOYSA-N
XLogP1.48
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884
(2S)-2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]-2-[(3R)-oxan-3-yl]acetic acid
CID 129467688
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
2-(1-benzothiophene-5-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548414
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548755
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547529) is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is O=C(NC(C(=O)O)C1CCCOC1)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is DJIUHJFYAKWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5/c18-12-4-3-10(8-13(12)21-6-5-19-17(21)25)15(22)20-14(16(23)24)11-2-1-7-26-9-11/h3-4,8,11,14H,1-2,5-7,9H2,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 381.82 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).