(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid

C6H13N3O2 — CID 54137481

IUPAC(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid
SMILESN/C=N/CCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1
InChIKeyNYSVAXMPMBUVHF-YFKPBYRVSA-N
MW159.19 g/mol
LogP-0.83
Rot. Bonds5

About (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid

(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid (PubChem CID 54137481) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid
PubChem CID54137481
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid
SMILESN/C=N/CCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1
InChIKeyNYSVAXMPMBUVHF-YFKPBYRVSA-N
XLogP-0.83
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(aminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid (CID 54137481) is (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid is N/C=N/CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid?
The InChIKey is NYSVAXMPMBUVHF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid?
(2S)-2-amino-5-(aminomethylideneamino)pentanoic acid has a molecular weight of 159.19 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(aminomethylideneamino)pentanoic acid is sourced from PubChem (CID 54137481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).