(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide

C13H25N3O — CID 114134011

IUPAC(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CNC[C@H]1C)N(C)C1CC1
InChIInChI=1S/C13H25N3O/c1-9-6-14-8-12(9)13(17)15-7-10(2)16(3)11-4-5-11/h9-12,14H,4-8H2,1-3H3,(H,15,17)/t9-,10?,12-/m1/s1
InChIKeyAFAMWWNVPPTESJ-UPCOPKIUSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds5

About (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114134011) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114134011
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CNC[C@H]1C)N(C)C1CC1
InChIInChI=1S/C13H25N3O/c1-9-6-14-8-12(9)13(17)15-7-10(2)16(3)11-4-5-11/h9-12,14H,4-8H2,1-3H3,(H,15,17)/t9-,10?,12-/m1/s1
InChIKeyAFAMWWNVPPTESJ-UPCOPKIUSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959527
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 114085030
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide (CID 114134011) is (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide is CC(CNC(=O)[C@@H]1CNC[C@H]1C)N(C)C1CC1.
What is the InChIKey of (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is AFAMWWNVPPTESJ-UPCOPKIUSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9-6-14-8-12(9)13(17)15-7-10(2)16(3)11-4-5-11/h9-12,14H,4-8H2,1-3H3,(H,15,17)/t9-,10?,12-/m1/s1.
What are the key properties of (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114134011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).