(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

C14H25N3O2 — CID 56711990

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(C)CC1
InChIInChI=1S/C14H25N3O2/c1-4-16(5-2)12(18)11-8-10(15)9-17(11)13(19)14(3)6-7-14/h10-11H,4-9,15H2,1-3H3/t10-,11+/m1/s1
InChIKeySEELZSGTPBTKEM-MNOVXSKESA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds4

About (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 56711990) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID56711990
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(C)CC1
InChIInChI=1S/C14H25N3O2/c1-4-16(5-2)12(18)11-8-10(15)9-17(11)13(19)14(3)6-7-14/h10-11H,4-9,15H2,1-3H3/t10-,11+/m1/s1
InChIKeySEELZSGTPBTKEM-MNOVXSKESA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 56711990) is (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(C)CC1.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is SEELZSGTPBTKEM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-16(5-2)12(18)11-8-10(15)9-17(11)13(19)14(3)6-7-14/h10-11H,4-9,15H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56711990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).