(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde

C10H19N3O2 — CID 173376381

IUPAC(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde
SMILESNCCC[C@H](N)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C10H19N3O2/c11-5-1-4-9(12)10(15)13-6-2-3-8(13)7-14/h7-9H,1-6,11-12H2/t8-,9-/m0/s1
InChIKeyGVUQMCJJNRSTJI-IUCAKERBSA-N
MW213.28 g/mol
LogP-0.76
Rot. Bonds5

About (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde

(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde (PubChem CID 173376381) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde
PubChem CID173376381
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde
SMILESNCCC[C@H](N)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C10H19N3O2/c11-5-1-4-9(12)10(15)13-6-2-3-8(13)7-14/h7-9H,1-6,11-12H2/t8-,9-/m0/s1
InChIKeyGVUQMCJJNRSTJI-IUCAKERBSA-N
XLogP-0.76
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carbaldehyde
CID 173326830
(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 90727915
(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid
CID 67280679
(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylic acid;hydrobromide
CID 131697995
(2S)-2-amino-N-[(2S)-5-amino-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 90705274
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
1-[(2S)-2,6-diaminohexanoyl]piperidine-2-carbonitrile
CID 10014450
(2S)-N-[(2S)-5-amino-1,5-dioxopentan-2-yl]-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxamide
CID 123424315
2-[[2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
CID 18307991
(2S)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbaldehyde
CID 173434438
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde (CID 173376381) is (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde is NCCC[C@H](N)C(=O)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde?
The InChIKey is GVUQMCJJNRSTJI-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-5-1-4-9(12)10(15)13-6-2-3-8(13)7-14/h7-9H,1-6,11-12H2/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde?
(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 173376381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).