(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide

C8H11N3O2 — CID 130677444

IUPAC(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide
SMILESCC#CCNC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C8H11N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h6H,4-5H2,1H3,(H,9,12)(H2,10,11,13)/t6-/m0/s1
InChIKeyGWGOLYWWVJSRJD-LURJTMIESA-N
MW181.19 g/mol
LogP-1.19
Rot. Bonds2

About (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 130677444) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide
PubChem CID130677444
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide
SMILESCC#CCNC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C8H11N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h6H,4-5H2,1H3,(H,9,12)(H2,10,11,13)/t6-/m0/s1
InChIKeyGWGOLYWWVJSRJD-LURJTMIESA-N
XLogP-1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-[(2R)-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
CID 131209001
2-oxoimidazolidine-4-carbohydrazide
CID 70566871
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 71877483
(4R)-2-oxo-N-(3-propan-2-yloxypropyl)imidazolidine-4-carboxamide
CID 97085402
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877841
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 6722728
(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
CID 97089035
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877790
N-but-2-ynyl-2-methylpiperidine-3-carboxamide
CID 127003919
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165

Frequently Asked Questions

What is the IUPAC name of (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide (CID 130677444) is (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide is CC#CCNC(=O)[C@@H]1CNC(=O)N1.
What is the InChIKey of (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GWGOLYWWVJSRJD-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h6H,4-5H2,1H3,(H,9,12)(H2,10,11,13)/t6-/m0/s1.
What are the key properties of (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 130677444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).