(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide

C12H18N4O5 — CID 9374548

IUPAC(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C12H18N4O5/c1-4-13-9(18)7(3)14-8(17)6-16-11(20)10(19)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-/m1/s1
InChIKeyZRLJSWZWQHCMDT-SSDOTTSWSA-N
MW298.30 g/mol
LogP-1.56
Rot. Bonds6

About (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide

(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide (PubChem CID 9374548) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide
PubChem CID9374548
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C12H18N4O5/c1-4-13-9(18)7(3)14-8(17)6-16-11(20)10(19)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-/m1/s1
InChIKeyZRLJSWZWQHCMDT-SSDOTTSWSA-N
XLogP-1.56
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7824261
(2R)-N-ethyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanamide
CID 9401289
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 34718348
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 2574523
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 9374526
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
CID 9379983
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9342029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide (CID 9374548) is (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide is CCNC(=O)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(CC)C1=O.
What is the InChIKey of (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide?
The InChIKey is ZRLJSWZWQHCMDT-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-4-13-9(18)7(3)14-8(17)6-16-11(20)10(19)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide?
(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide has a molecular weight of 298.30 g/mol, XLogP of -1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 9374548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).