1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide

C13H23N3O3 — CID 102295515

IUPAC1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide
SMILESCNC(=O)C1CCN1C(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-8(15-12(19)13(2,3)4)11(18)16-7-6-9(16)10(17)14-5/h8-9H,6-7H2,1-5H3,(H,14,17)(H,15,19)/t8-,9?/m0/s1
InChIKeyRBRMEYKPXJDNHJ-IENPIDJESA-N
MW269.34 g/mol
LogP-0.12
Rot. Bonds3

About 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide

1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide (PubChem CID 102295515) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide
PubChem CID102295515
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide
SMILESCNC(=O)C1CCN1C(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-8(15-12(19)13(2,3)4)11(18)16-7-6-9(16)10(17)14-5/h8-9H,6-7H2,1-5H3,(H,14,17)(H,15,19)/t8-,9?/m0/s1
InChIKeyRBRMEYKPXJDNHJ-IENPIDJESA-N
XLogP-0.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54878882
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
(2S,4S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714914
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide (CID 102295515) is 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide is CNC(=O)C1CCN1C(=O)[C@H](C)NC(=O)C(C)(C)C.
What is the InChIKey of 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide?
The InChIKey is RBRMEYKPXJDNHJ-IENPIDJESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(15-12(19)13(2,3)4)11(18)16-7-6-9(16)10(17)14-5/h8-9H,6-7H2,1-5H3,(H,14,17)(H,15,19)/t8-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide?
1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide is sourced from PubChem (CID 102295515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).