2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid

C14H23N3O6 — CID 22993673

IUPAC2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-13(2,3)23-12(22)15-7-5-6-14(4)10(20)17(8-9(18)19)11(21)16-14/h5-8H2,1-4H3,(H,15,22)(H,16,21)(H,18,19)
InChIKeySSSQQVFIWMITMU-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.69
Rot. Bonds6

About 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 22993673) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID22993673
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-13(2,3)23-12(22)15-7-5-6-14(4)10(20)17(8-9(18)19)11(21)16-14/h5-8H2,1-4H3,(H,15,22)(H,16,21)(H,18,19)
InChIKeySSSQQVFIWMITMU-UHFFFAOYSA-N
XLogP0.69
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
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

2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357443
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
CID 154533814
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 155964614
2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 19932459
2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 170976425
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate
CID 134942640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]acetic acid
CID 10423479
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
tert-butyl N-[3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propyl]carbamate
CID 136590022

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 22993673) is 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid is CC(C)(C)OC(=O)NCCCC1(C)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is SSSQQVFIWMITMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-13(2,3)23-12(22)15-7-5-6-14(4)10(20)17(8-9(18)19)11(21)16-14/h5-8H2,1-4H3,(H,15,22)(H,16,21)(H,18,19).
What are the key properties of 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 329.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 22993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).