(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide

C10H19N3O2 — CID 11687141

IUPAC(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-2-4-7(11)10(15)13-6-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyNOBVHVGPMMOHAE-YUMQZZPRSA-N
MW213.28 g/mol
LogP-0.41
Rot. Bonds4

About (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide (PubChem CID 11687141) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide
PubChem CID11687141
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-2-4-7(11)10(15)13-6-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
InChIKeyNOBVHVGPMMOHAE-YUMQZZPRSA-N
XLogP-0.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide (CID 11687141) is (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide is CCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide?
The InChIKey is NOBVHVGPMMOHAE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-4-7(11)10(15)13-6-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopentanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11687141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).