5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride

C7H17ClN4O2 — CID 23193375

IUPAC5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
SMILESCNC(CCCN=C(N)N)C(=O)O.Cl
InChIInChI=1S/C7H16N4O2.ClH/c1-10-5(6(12)13)3-2-4-11-7(8)9;/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11);1H
InChIKeyYBUBNGCCLWQUHK-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.87
Rot. Bonds6

About 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride

5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride (PubChem CID 23193375) has the molecular formula C7H17ClN4O2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
PubChem CID23193375
Molecular FormulaC7H17ClN4O2
Molecular Weight224.69 g/mol
Exact Mass224.10
IUPAC Name5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
SMILESCNC(CCCN=C(N)N)C(=O)O.Cl
InChIInChI=1S/C7H16N4O2.ClH/c1-10-5(6(12)13)3-2-4-11-7(8)9;/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11);1H
InChIKeyYBUBNGCCLWQUHK-UHFFFAOYSA-N
XLogP-0.87
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
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)pentanamide
CID 58899050
(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 122517059
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]pentanoic acid
CID 175801756
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203
(2R)-5-(diaminomethylideneamino)-2-[[(2S)-1,1-dihydroxypropan-2-yl]amino]pentanoic acid
CID 57329063

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride (CID 23193375) is 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride is CNC(CCCN=C(N)N)C(=O)O.Cl.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is YBUBNGCCLWQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.ClH/c1-10-5(6(12)13)3-2-4-11-7(8)9;/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11);1H.
What are the key properties of 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride?
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 23193375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).