2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide

C12H23N3O4 — CID 106672699

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C12H23N3O4/c1-8(2)3-4-13-12(19)14-11(18)7-15-5-9(16)10(17)6-15/h8-10,16-17H,3-7H2,1-2H3,(H2,13,14,18,19)
InChIKeyTUJDLCVANXWEDI-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.10
Rot. Bonds5

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 106672699) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID106672699
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C12H23N3O4/c1-8(2)3-4-13-12(19)14-11(18)7-15-5-9(16)10(17)6-15/h8-10,16-17H,3-7H2,1-2H3,(H2,13,14,18,19)
InChIKeyTUJDLCVANXWEDI-UHFFFAOYSA-N
XLogP-1.10
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684137
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704951
1,3-bis(3-methylbutyl)urea
CID 22563958
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide (CID 106672699) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is TUJDLCVANXWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(2)3-4-13-12(19)14-11(18)7-15-5-9(16)10(17)6-15/h8-10,16-17H,3-7H2,1-2H3,(H2,13,14,18,19).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 106672699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).