2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid

C17H22N4O6 — CID 102175916

IUPAC2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid
SMILESNC(=O)NC(CCCCN1C(=O)NC(Cc2ccc(O)cc2)C1=O)C(=O)O
InChIInChI=1S/C17H22N4O6/c18-16(26)19-12(15(24)25)3-1-2-8-21-14(23)13(20-17(21)27)9-10-4-6-11(22)7-5-10/h4-7,12-13,22H,1-3,8-9H2,(H,20,27)(H,24,25)(H3,18,19,26)
InChIKeyCCSZEZUDFLHJTA-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.15
Rot. Bonds9

About 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid

2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid (PubChem CID 102175916) has the molecular formula C17H22N4O6 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid
PubChem CID102175916
Molecular FormulaC17H22N4O6
Molecular Weight378.39 g/mol
Exact Mass378.15
IUPAC Name2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid
SMILESNC(=O)NC(CCCCN1C(=O)NC(Cc2ccc(O)cc2)C1=O)C(=O)O
InChIInChI=1S/C17H22N4O6/c18-16(26)19-12(15(24)25)3-1-2-8-21-14(23)13(20-17(21)27)9-10-4-6-11(22)7-5-10/h4-7,12-13,22H,1-3,8-9H2,(H,20,27)(H,24,25)(H3,18,19,26)
InChIKeyCCSZEZUDFLHJTA-UHFFFAOYSA-N
XLogP0.15
TPSA162.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydrazinylphenyl)methyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 10019154
(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid
CID 175949178
(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 11937738
N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2462942
(5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 854033
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
(2S)-6-amino-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoic acid
CID 69482345
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 145458578
6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 19952114
5-amino-2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 19954580
6-amino-2-[[6-amino-2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid
CID 19951037
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid?
The IUPAC name of 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid (CID 102175916) is 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid?
The canonical SMILES for 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid is NC(=O)NC(CCCCN1C(=O)NC(Cc2ccc(O)cc2)C1=O)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid?
The InChIKey is CCSZEZUDFLHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O6/c18-16(26)19-12(15(24)25)3-1-2-8-21-14(23)13(20-17(21)27)9-10-4-6-11(22)7-5-10/h4-7,12-13,22H,1-3,8-9H2,(H,20,27)(H,24,25)(H3,18,19,26).
What are the key properties of 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid?
2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid has a molecular weight of 378.39 g/mol, XLogP of 0.15, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]hexanoic acid is sourced from PubChem (CID 102175916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).