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

C9H21N5O4 — CID 21226270

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,4H2,1H3,(H,5,6)
InChIKeyQDOVMBSZOOJLGR-UHFFFAOYSA-N
MW263.30 g/mol
LogP-2.13
Rot. Bonds6

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid (PubChem CID 21226270) has the molecular formula C9H21N5O4 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
PubChem CID21226270
Molecular FormulaC9H21N5O4
Molecular Weight263.30 g/mol
Exact Mass263.16
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,4H2,1H3,(H,5,6)
InChIKeyQDOVMBSZOOJLGR-UHFFFAOYSA-N
XLogP-2.13
TPSA191.04 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.30
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 3081032
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diaminopentanoic acid
CID 173329365
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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(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
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid (CID 21226270) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid is CC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid?
The InChIKey is QDOVMBSZOOJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid has a molecular weight of 263.30 g/mol, XLogP of -2.13, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid is sourced from PubChem (CID 21226270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).