2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide

C10H17N5O3 — CID 5439337

IUPAC2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N[C@H]2NC(=O)N[C@H]21
InChIInChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17)/t5-,7+,8-/m0/s1
InChIKeyLUBLJNNKQRFOKK-ARDNSNSESA-N
MW255.28 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide

2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 5439337) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide
PubChem CID5439337
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N[C@H]2NC(=O)N[C@H]21
InChIInChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17)/t5-,7+,8-/m0/s1
InChIKeyLUBLJNNKQRFOKK-ARDNSNSESA-N
XLogP-1.11
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide with MolForge

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Related Compounds

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CID 110703633
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CID 129368574
N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500179
N-[(2S)-butan-2-yl]-2-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 99860174
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106744699

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide (CID 5439337) is 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CN1C(=O)N[C@H]2NC(=O)N[C@H]21.
What is the InChIKey of 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is LUBLJNNKQRFOKK-ARDNSNSESA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17)/t5-,7+,8-/m0/s1.
What are the key properties of 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide?
2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 255.28 g/mol, XLogP of -1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 5439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).