(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid

C7H17N7O2 — CID 54407523

IUPAC(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](N[15N]=C(N)[15NH2])C(=O)O
InChIInChI=1S/C7H17N7O2/c8-6(9)12-3-1-2-4(5(15)16)13-14-7(10)11/h4,13H,1-3H2,(H,15,16)(H4,8,9,12)(H4,10,11,14)/t4-/m0/s1/i10+1,14+1
InChIKeyVRTVCGMQWXYEIZ-CVEPPFBFSA-N
MW233.25 g/mol
LogP-2.73
Rot. Bonds7

About (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 54407523) has the molecular formula C7H17N7O2 and a molecular weight of 233.25 g/mol. Its IUPAC name is (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
PubChem CID54407523
Molecular FormulaC7H17N7O2
Molecular Weight233.25 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](N[15N]=C(N)[15NH2])C(=O)O
InChIInChI=1S/C7H17N7O2/c8-6(9)12-3-1-2-4(5(15)16)13-14-7(10)11/h4,13H,1-3H2,(H,15,16)(H4,8,9,12)(H4,10,11,14)/t4-/m0/s1/i10+1,14+1
InChIKeyVRTVCGMQWXYEIZ-CVEPPFBFSA-N
XLogP-2.73
TPSA178.13 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.25
LogP ≤ 5-2.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203
(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
CID 71660635
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2S)-5-(diaminomethylideneamino)-2-(oxaldehydoylamino)pentanoic acid
CID 173147392
(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid
CID 44593755
(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
CID 175772240
(2R)-5-(diaminomethylideneamino)-2-[[(2S)-1,1-dihydroxypropan-2-yl]amino]pentanoic acid
CID 57329063
(2S)-2-[2-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]hydrazinyl]-4-methylpentanoic acid
CID 174652219

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid (CID 54407523) is (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCC[C@H](N[15N]=C(N)[15NH2])C(=O)O.
What is the InChIKey of (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is VRTVCGMQWXYEIZ-CVEPPFBFSA-N. The full InChI is InChI=1S/C7H17N7O2/c8-6(9)12-3-1-2-4(5(15)16)13-14-7(10)11/h4,13H,1-3H2,(H,15,16)(H4,8,9,12)(H4,10,11,14)/t4-/m0/s1/i10+1,14+1.
What are the key properties of (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 233.25 g/mol, XLogP of -2.73, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 54407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).