2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide

C7H17N5O3 — CID 174953444

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
SMILESNC(N)=NCCCC(N)C(=O)O.NC=O
InChIInChI=1S/C6H14N4O2.CH3NO/c7-4(5(11)12)2-1-3-10-6(8)9;2-1-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H2,2,3)
InChIKeyCXPRAIXEOCVFRA-UHFFFAOYSA-N
MW219.25 g/mol
LogP-2.45
Rot. Bonds5

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide

2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide (PubChem CID 174953444) has the molecular formula C7H17N5O3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
PubChem CID174953444
Molecular FormulaC7H17N5O3
Molecular Weight219.25 g/mol
Exact Mass219.13
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
SMILESNC(N)=NCCCC(N)C(=O)O.NC=O
InChIInChI=1S/C6H14N4O2.CH3NO/c7-4(5(11)12)2-1-3-10-6(8)9;2-1-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H2,2,3)
InChIKeyCXPRAIXEOCVFRA-UHFFFAOYSA-N
XLogP-2.45
TPSA170.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-2.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(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
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide (CID 174953444) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide is NC(N)=NCCCC(N)C(=O)O.NC=O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide?
The InChIKey is CXPRAIXEOCVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.CH3NO/c7-4(5(11)12)2-1-3-10-6(8)9;2-1-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H2,2,3).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide?
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide has a molecular weight of 219.25 g/mol, XLogP of -2.45, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide is sourced from PubChem (CID 174953444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).