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

C7H16N4O5 — CID 10198591

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)O
InChIInChI=1S/C6H14N4O2.CH2O3/c7-4(5(11)12)2-1-3-10-6(8)9;2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H2,2,3,4)
InChIKeyRYJDNPSQBGFFSF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.33
Rot. Bonds5

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid (PubChem CID 10198591) has the molecular formula C7H16N4O5 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
PubChem CID10198591
Molecular FormulaC7H16N4O5
Molecular Weight236.23 g/mol
Exact Mass236.11
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)O
InChIInChI=1S/C6H14N4O2.CH2O3/c7-4(5(11)12)2-1-3-10-6(8)9;2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H2,2,3,4)
InChIKeyRYJDNPSQBGFFSF-UHFFFAOYSA-N
XLogP-1.33
TPSA185.25 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.33
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'}

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Related Compounds

calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
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
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid (CID 10198591) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid is NC(N)=NCCCC(N)C(=O)O.O=C(O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid?
The InChIKey is RYJDNPSQBGFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.CH2O3/c7-4(5(11)12)2-1-3-10-6(8)9;2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H2,2,3,4).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid has a molecular weight of 236.23 g/mol, XLogP of -1.33, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid is sourced from PubChem (CID 10198591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).