[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate

C14H22N4O3 — CID 164635408

IUPAC[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
SMILESCC(C)n1ccnc1C(=O)N1CC[C@H](OC(=O)N(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-10(2)18-8-6-15-12(18)13(19)17-7-5-11(9-17)21-14(20)16(3)4/h6,8,10-11H,5,7,9H2,1-4H3/t11-/m0/s1
InChIKeyYHSCSTUAWXCVDR-NSHDSACASA-N
MW294.36 g/mol
LogP1.38
Rot. Bonds3

About [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate

[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate (PubChem CID 164635408) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
PubChem CID164635408
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
SMILESCC(C)n1ccnc1C(=O)N1CC[C@H](OC(=O)N(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-10(2)18-8-6-15-12(18)13(19)17-7-5-11(9-17)21-14(20)16(3)4/h6,8,10-11H,5,7,9H2,1-4H3/t11-/m0/s1
InChIKeyYHSCSTUAWXCVDR-NSHDSACASA-N
XLogP1.38
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methyl-7-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
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CID 91792866
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CID 91796948
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(2S)-N-methyl-2-(2-methylimidazol-1-yl)-N-(4-morpholin-4-ylbutyl)propanamide
CID 100068024
Methyl 2-[butan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 121521047
2,2,2-Trifluoroethyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-1-carboxylate
CID 53563793
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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate (CID 164635408) is [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate is CC(C)n1ccnc1C(=O)N1CC[C@H](OC(=O)N(C)C)C1.
What is the InChIKey of [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate?
The InChIKey is YHSCSTUAWXCVDR-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)18-8-6-15-12(18)13(19)17-7-5-11(9-17)21-14(20)16(3)4/h6,8,10-11H,5,7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate?
[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate has a molecular weight of 294.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 164635408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).