(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H22N4O2 — CID 136584494

IUPAC(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-10(7-11-8-15-9-16-11)13(19)18-6-4-5-12(18)14(20)17(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyXEGUBNUEHYWPTC-KFJBMODSSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds4

About (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 136584494) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID136584494
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-10(7-11-8-15-9-16-11)13(19)18-6-4-5-12(18)14(20)17(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyXEGUBNUEHYWPTC-KFJBMODSSA-N
XLogP0.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18218498
1-[(2S)-1-[(2S)-2-(tert-butylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 167151026
2-[[1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18238418
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[(2R)-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 159191538
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid
CID 18238295
(2R)-1-[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 71464374
1-[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 18484921
1-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18294699
2-[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18498223
2-[[1-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18496104
3-amino-4-[[1-[2-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246794
2-[[1-[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18236050

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 136584494) is (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is XEGUBNUEHYWPTC-KFJBMODSSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(7-11-8-15-9-16-11)13(19)18-6-4-5-12(18)14(20)17(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,16)/t10?,12-/m0/s1.
What are the key properties of (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(1H-imidazol-5-yl)-2-methylpropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136584494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).