2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid

C18H22N4O5 — CID 21453115

IUPAC2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC(=O)N1CCN(C(=O)N2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C18H22N4O5/c23-15(24)14(13-7-3-1-4-8-13)19-16(25)21-11-12-22(18(21)27)17(26)20-9-5-2-6-10-20/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,25)(H,23,24)
InChIKeyDRMBHZVPWUNGOT-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.87
Rot. Bonds3

About 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid

2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid (PubChem CID 21453115) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
PubChem CID21453115
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC(=O)N1CCN(C(=O)N2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C18H22N4O5/c23-15(24)14(13-7-3-1-4-8-13)19-16(25)21-11-12-22(18(21)27)17(26)20-9-5-2-6-10-20/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,25)(H,23,24)
InChIKeyDRMBHZVPWUNGOT-UHFFFAOYSA-N
XLogP1.87
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 21453167
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
(2S)-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 104899074
2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453212
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
CID 21444695
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid (CID 21453115) is 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid is O=C(O)C(NC(=O)N1CCN(C(=O)N2CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is DRMBHZVPWUNGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c23-15(24)14(13-7-3-1-4-8-13)19-16(25)21-11-12-22(18(21)27)17(26)20-9-5-2-6-10-20/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,25)(H,23,24).
What are the key properties of 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid?
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 374.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21453115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).