2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol

C10H25N5O5 — CID 118498709

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H11NO3/c7-4(5(11)12)2-1-3-10-6(8)9;5-4(1-6,2-7)3-8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);6-8H,1-3,5H2
InChIKeyGGNVCFSNSJGZRA-UHFFFAOYSA-N
MW295.34 g/mol
LogP-3.89
Rot. Bonds8

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 118498709) has the molecular formula C10H25N5O5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol
PubChem CID118498709
Molecular FormulaC10H25N5O5
Molecular Weight295.34 g/mol
Exact Mass295.19
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H11NO3/c7-4(5(11)12)2-1-3-10-6(8)9;5-4(1-6,2-7)3-8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);6-8H,1-3,5H2
InChIKeyGGNVCFSNSJGZRA-UHFFFAOYSA-N
XLogP-3.89
TPSA214.43 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 5-3.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
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
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
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;ethanol;hydrochloride
CID 174671345

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol (CID 118498709) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol is NC(CO)(CO)CO.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is GGNVCFSNSJGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C4H11NO3/c7-4(5(11)12)2-1-3-10-6(8)9;5-4(1-6,2-7)3-8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);6-8H,1-3,5H2.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol?
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 295.34 g/mol, XLogP of -3.89, 8 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 118498709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).