N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide

C13H23N3O2 — CID 79202503

IUPACN-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCNCC(C)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(8-14-2)13(18)16-7-3-4-11(16)12(17)15-10-5-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyVPSXIOOHCMDHPC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds5

About N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 79202503) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
PubChem CID79202503
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCNCC(C)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(8-14-2)13(18)16-7-3-4-11(16)12(17)15-10-5-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyVPSXIOOHCMDHPC-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 65290967
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
1-[2-(azetidin-3-yl)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676326
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide (CID 79202503) is N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide is CNCC(C)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is VPSXIOOHCMDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(8-14-2)13(18)16-7-3-4-11(16)12(17)15-10-5-6-10/h9-11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79202503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).