(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde

C11H20N2O2 — CID 22887901

IUPAC(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C11H20N2O2/c1-3-8(2)10(12)11(15)13-6-4-5-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyUWZGPIGXZDVCDX-GUBZILKMSA-N
MW212.29 g/mol
LogP0.55
Rot. Bonds4

About (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde

(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde (PubChem CID 22887901) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
PubChem CID22887901
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C11H20N2O2/c1-3-8(2)10(12)11(15)13-6-4-5-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyUWZGPIGXZDVCDX-GUBZILKMSA-N
XLogP0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde (CID 22887901) is (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde is CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The InChIKey is UWZGPIGXZDVCDX-GUBZILKMSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-8(2)10(12)11(15)13-6-4-5-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde?
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22887901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).