(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C11H23N5O4 — CID 67181802

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H14N4O2.C5H9NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8)/t2*4-/m00/s1
InChIKeyXHJCZVGOQPGVEW-RZVRUWJTSA-N
MW289.34 g/mol
LogP-1.73
Rot. Bonds6

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 67181802) has the molecular formula C11H23N5O4 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID67181802
Molecular FormulaC11H23N5O4
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H14N4O2.C5H9NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8)/t2*4-/m00/s1
InChIKeyXHJCZVGOQPGVEW-RZVRUWJTSA-N
XLogP-1.73
TPSA177.05 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 5-1.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 67181802) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is NC(N)=NCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is XHJCZVGOQPGVEW-RZVRUWJTSA-N. The full InChI is InChI=1S/C6H14N4O2.C5H9NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8)/t2*4-/m00/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of -1.73, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67181802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).