(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde

C11H20N2O2 — CID 90727915

IUPAC(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
SMILESCC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C=O
InChIInChI=1S/C11H20N2O2/c1-8(2)6-10(12)11(15)13-5-3-4-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyCEJLFMQJMRRFHI-ZJUUUORDSA-N
MW212.29 g/mol
LogP0.55
Rot. Bonds4

About (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde

(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde (PubChem CID 90727915) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
PubChem CID90727915
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
SMILESCC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C=O
InChIInChI=1S/C11H20N2O2/c1-8(2)6-10(12)11(15)13-5-3-4-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyCEJLFMQJMRRFHI-ZJUUUORDSA-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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Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde
CID 173376381
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
(2S)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carbaldehyde
CID 173326830
(2S)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbaldehyde
CID 173434438
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde (CID 90727915) is (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde is CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C=O.
What is the InChIKey of (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde?
The InChIKey is CEJLFMQJMRRFHI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)6-10(12)11(15)13-5-3-4-9(13)7-14/h7-10H,3-6,12H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde?
(2R)-1-[(2S)-2-amino-4-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 (2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 90727915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).