(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid

C14H32N8O4 — CID 161367274

IUPAC(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
SMILESCN[C@H](CCCN=C(N)N)C(=O)O.CN[C@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/2C7H16N4O2/c2*1-10-5(6(12)13)3-2-4-11-7(8)9/h2*5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t2*5-/m11/s1
InChIKeyVPZCEPWZYVGUCQ-BXXIVHCWSA-N
MW376.46 g/mol
LogP-2.57
Rot. Bonds12

About (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid

(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid (PubChem CID 161367274) has the molecular formula C14H32N8O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
PubChem CID161367274
Molecular FormulaC14H32N8O4
Molecular Weight376.46 g/mol
Exact Mass376.25
IUPAC Name(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
SMILESCN[C@H](CCCN=C(N)N)C(=O)O.CN[C@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/2C7H16N4O2/c2*1-10-5(6(12)13)3-2-4-11-7(8)9/h2*5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t2*5-/m11/s1
InChIKeyVPZCEPWZYVGUCQ-BXXIVHCWSA-N
XLogP-2.57
TPSA227.46 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 5-2.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

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

5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
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
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]pentanoic acid
CID 175801756
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203
(2S)-2-[2-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]hydrazinyl]-4-methylpentanoic acid
CID 174652219
(2R)-5-(diaminomethylideneamino)-2-[[(2S)-1,1-dihydroxypropan-2-yl]amino]pentanoic acid
CID 57329063

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid?
The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid (CID 161367274) is (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid?
The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid is CN[C@H](CCCN=C(N)N)C(=O)O.CN[C@H](CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid?
The InChIKey is VPZCEPWZYVGUCQ-BXXIVHCWSA-N. The full InChI is InChI=1S/2C7H16N4O2/c2*1-10-5(6(12)13)3-2-4-11-7(8)9/h2*5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t2*5-/m11/s1.
What are the key properties of (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid?
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid has a molecular weight of 376.46 g/mol, XLogP of -2.57, 12 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 161367274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).