(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid

C16H21N3O4 — CID 119362177

IUPAC(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O
InChIInChI=1S/C16H21N3O4/c1-10(2)9-13(15(21)22)18-14(20)11-3-5-12(6-4-11)19-8-7-17-16(19)23/h3-6,10,13H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyOGCITUJIXJODAZ-ZDUSSCGKSA-N
MW319.36 g/mol
LogP1.45
Rot. Bonds6

About (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid (PubChem CID 119362177) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
PubChem CID119362177
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O
InChIInChI=1S/C16H21N3O4/c1-10(2)9-13(15(21)22)18-14(20)11-3-5-12(6-4-11)19-8-7-17-16(19)23/h3-6,10,13H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyOGCITUJIXJODAZ-ZDUSSCGKSA-N
XLogP1.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119360751
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-4-methyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]pentanoic acid
CID 119363797
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 119497450
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299247

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid (CID 119362177) is (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid?
The InChIKey is OGCITUJIXJODAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10(2)9-13(15(21)22)18-14(20)11-3-5-12(6-4-11)19-8-7-17-16(19)23/h3-6,10,13H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid has a molecular weight of 319.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119362177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).