bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide

C18H34N10O6 — CID 174604855

IUPACbis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.O=[N+]([O-])Nc1ccccc1
InChIInChI=1S/2C6H14N4O2.C6H6N2O2/c2*7-4(5(11)12)2-1-3-10-6(8)9;9-8(10)7-6-4-2-1-3-5-6/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-5,7H
InChIKeyDAMPJVRUKYCBSQ-UHFFFAOYSA-N
MW486.53 g/mol
LogP-1.81
Rot. Bonds12

About bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide

bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide (PubChem CID 174604855) has the molecular formula C18H34N10O6 and a molecular weight of 486.53 g/mol. Its IUPAC name is bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide.

Molecular Properties

Compound Namebis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide
PubChem CID174604855
Molecular FormulaC18H34N10O6
Molecular Weight486.53 g/mol
Exact Mass486.27
IUPAC Namebis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.O=[N+]([O-])Nc1ccccc1
InChIInChI=1S/2C6H14N4O2.C6H6N2O2/c2*7-4(5(11)12)2-1-3-10-6(8)9;9-8(10)7-6-4-2-1-3-5-6/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-5,7H
InChIKeyDAMPJVRUKYCBSQ-UHFFFAOYSA-N
XLogP-1.81
TPSA310.61 Ų
H-Bond Donors9
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 5-1.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 108

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
octakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris(1H-pyrrole)
CID 173055307
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22856246
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide?
The IUPAC name of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide (CID 174604855) is bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide.
What is the SMILES notation for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide?
The canonical SMILES for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide is NC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.O=[N+]([O-])Nc1ccccc1.
What is the InChIKey of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide?
The InChIKey is DAMPJVRUKYCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N4O2.C6H6N2O2/c2*7-4(5(11)12)2-1-3-10-6(8)9;9-8(10)7-6-4-2-1-3-5-6/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-5,7H.
What are the key properties of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide?
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide has a molecular weight of 486.53 g/mol, XLogP of -1.81, 12 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);N-phenylnitramide is sourced from PubChem (CID 174604855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).