(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide

C8H17N3O — CID 90932842

IUPAC(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide
SMILESCC1C[C@H](N(C)C)CN1C(N)=O
InChIInChI=1S/C8H17N3O/c1-6-4-7(10(2)3)5-11(6)8(9)12/h6-7H,4-5H2,1-3H3,(H2,9,12)/t6?,7-/m0/s1
InChIKeySHNZBEHWGOMXQU-MLWJPKLSSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds1

About (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide

(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide (PubChem CID 90932842) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide
PubChem CID90932842
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide
SMILESCC1C[C@H](N(C)C)CN1C(N)=O
InChIInChI=1S/C8H17N3O/c1-6-4-7(10(2)3)5-11(6)8(9)12/h6-7H,4-5H2,1-3H3,(H2,9,12)/t6?,7-/m0/s1
InChIKeySHNZBEHWGOMXQU-MLWJPKLSSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide (CID 90932842) is (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide is CC1C[C@H](N(C)C)CN1C(N)=O.
What is the InChIKey of (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is SHNZBEHWGOMXQU-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-4-7(10(2)3)5-11(6)8(9)12/h6-7H,4-5H2,1-3H3,(H2,9,12)/t6?,7-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide?
(4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 90932842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).