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

C10H19N3O2 — CID 11615440

IUPAC(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyAGVCUVJROUBIKP-YUMQZZPRSA-N
MW213.28 g/mol
LogP-0.55
Rot. Bonds3

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

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 11615440) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID11615440
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyAGVCUVJROUBIKP-YUMQZZPRSA-N
XLogP-0.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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cyclo(L-Pro-L-Val)
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(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
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L-valyl-L-proline hexylamide
CID 11623539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide (CID 11615440) is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is AGVCUVJROUBIKP-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11615440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).