5-(aminomethylideneamino)-2-(methylamino)pentanoic acid

C7H15N3O2 — CID 178031591

IUPAC5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCC/N=C/N)C(=O)O
InChIInChI=1S/C7H15N3O2/c1-9-6(7(11)12)3-2-4-10-5-8/h5-6,9H,2-4H2,1H3,(H2,8,10)(H,11,12)
InChIKeyNKQVHNZGACQVOA-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.57
Rot. Bonds6

About 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid

5-(aminomethylideneamino)-2-(methylamino)pentanoic acid (PubChem CID 178031591) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
PubChem CID178031591
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCC/N=C/N)C(=O)O
InChIInChI=1S/C7H15N3O2/c1-9-6(7(11)12)3-2-4-10-5-8/h5-6,9H,2-4H2,1H3,(H2,8,10)(H,11,12)
InChIKeyNKQVHNZGACQVOA-UHFFFAOYSA-N
XLogP-0.57
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.57
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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Related Compounds

(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
CID 87407162
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
CID 177242165
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid (CID 178031591) is 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid is CNC(CCC/N=C/N)C(=O)O.
What is the InChIKey of 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid?
The InChIKey is NKQVHNZGACQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-6(7(11)12)3-2-4-10-5-8/h5-6,9H,2-4H2,1H3,(H2,8,10)(H,11,12).
What are the key properties of 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid?
5-(aminomethylideneamino)-2-(methylamino)pentanoic acid has a molecular weight of 173.22 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethylideneamino)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 178031591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).