1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

C13H23N3O2 — CID 61163718

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-8(2)11(14)13(18)16-7-3-4-10(16)12(17)15-9-5-6-9/h8-11H,3-7,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyGQMKFAAYYHYHCQ-DTIOYNMSSA-N
MW253.35 g/mol
LogP0.24
Rot. Bonds4

About 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 61163718) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID61163718
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-8(2)11(14)13(18)16-7-3-4-10(16)12(17)15-9-5-6-9/h8-11H,3-7,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyGQMKFAAYYHYHCQ-DTIOYNMSSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 61163718) is 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is GQMKFAAYYHYHCQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)11(14)13(18)16-7-3-4-10(16)12(17)15-9-5-6-9/h8-11H,3-7,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).