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

C17H23N3O5 — CID 119363730

IUPAC(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C17H23N3O5/c1-10(2)8-12(16(22)23)19-15(21)11-4-5-14(25-3)13(9-11)20-7-6-18-17(20)24/h4-5,9-10,12H,6-8H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyCBPWICJGLACFDD-GFCCVEGCSA-N
MW349.39 g/mol
LogP1.45
Rot. Bonds7

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

(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119363730) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119363730
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C17H23N3O5/c1-10(2)8-12(16(22)23)19-15(21)11-4-5-14(25-3)13(9-11)20-7-6-18-17(20)24/h4-5,9-10,12H,6-8H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyCBPWICJGLACFDD-GFCCVEGCSA-N
XLogP1.45
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid (CID 119363730) is (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid is COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1N1CCNC1=O.
What is the InChIKey of (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is CBPWICJGLACFDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-10(2)8-12(16(22)23)19-15(21)11-4-5-14(25-3)13(9-11)20-7-6-18-17(20)24/h4-5,9-10,12H,6-8H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 349.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).