(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide

C10H17N3O2 — CID 155325555

IUPAC(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1C[C@@H](N)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H17N3O2/c1-4-9(14)13-6-7(11)5-8(13)10(15)12(2)3/h4,7-8H,1,5-6,11H2,2-3H3/t7-,8+/m0/s1
InChIKeyOIELRJRCMNBFPA-JGVFFNPUSA-N
MW211.26 g/mol
LogP-0.81
Rot. Bonds2

About (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide

(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 155325555) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID155325555
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1C[C@@H](N)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H17N3O2/c1-4-9(14)13-6-7(11)5-8(13)10(15)12(2)3/h4,7-8H,1,5-6,11H2,2-3H3/t7-,8+/m0/s1
InChIKeyOIELRJRCMNBFPA-JGVFFNPUSA-N
XLogP-0.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 155325555) is (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1C[C@@H](N)C[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is OIELRJRCMNBFPA-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-9(14)13-6-7(11)5-8(13)10(15)12(2)3/h4,7-8H,1,5-6,11H2,2-3H3/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155325555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).