(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide

C15H25N3O2 — CID 166872199

IUPAC(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(=O)N[C@H]1C[C@@H]1C
InChIInChI=1S/C15H25N3O2/c1-3-9-5-13(9)18-15(20)11-7-16-6-10(11)14(19)17-12-4-8(12)2/h8-13,16H,3-7H2,1-2H3,(H,17,19)(H,18,20)/t8-,9-,10+,11+,12-,13-/m0/s1
InChIKeyVKMROJMFJQSOCJ-ZJJIEKDWSA-N
MW279.38 g/mol
LogP0.26
Rot. Bonds5

About (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide

(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 166872199) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
PubChem CID166872199
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(=O)N[C@H]1C[C@@H]1C
InChIInChI=1S/C15H25N3O2/c1-3-9-5-13(9)18-15(20)11-7-16-6-10(11)14(19)17-12-4-8(12)2/h8-13,16H,3-7H2,1-2H3,(H,17,19)(H,18,20)/t8-,9-,10+,11+,12-,13-/m0/s1
InChIKeyVKMROJMFJQSOCJ-ZJJIEKDWSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide (CID 166872199) is (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide is CC[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(=O)N[C@H]1C[C@@H]1C.
What is the InChIKey of (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is VKMROJMFJQSOCJ-ZJJIEKDWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-5-13(9)18-15(20)11-7-16-6-10(11)14(19)17-12-4-8(12)2/h8-13,16H,3-7H2,1-2H3,(H,17,19)(H,18,20)/t8-,9-,10+,11+,12-,13-/m0/s1.
What are the key properties of (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 166872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).