2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid

C17H36N4O5 — CID 19069479

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid
SMILESCC(O)CCCCCCCCC(=O)O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C11H22O3.C6H14N4O2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14;7-4(5(11)12)2-1-3-10-6(8)9/h10,12H,2-9H2,1H3,(H,13,14);4H,1-3,7H2,(H,11,12)(H4,8,9,10)
InChIKeySLEATKVZTPZYEZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.02
Rot. Bonds14

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid (PubChem CID 19069479) has the molecular formula C17H36N4O5 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid
PubChem CID19069479
Molecular FormulaC17H36N4O5
Molecular Weight376.50 g/mol
Exact Mass376.27
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid
SMILESCC(O)CCCCCCCCC(=O)O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C11H22O3.C6H14N4O2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14;7-4(5(11)12)2-1-3-10-6(8)9/h10,12H,2-9H2,1H3,(H,13,14);4H,1-3,7H2,(H,11,12)(H4,8,9,10)
InChIKeySLEATKVZTPZYEZ-UHFFFAOYSA-N
XLogP1.02
TPSA185.25 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 51.02
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-6-(diaminomethylideneamino)hexanoic acid;2-aminoheptanedioic acid;(2S)-2-amino-4-methylpentanoic acid
CID 87962576
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 3081032
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-amino-5-(diaminomethylideneamino)pentanoic acid;1-sulfanylethanol;hydrate
CID 175147210
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87266473
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(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;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid (CID 19069479) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid is CC(O)CCCCCCCCC(=O)O.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid?
The InChIKey is SLEATKVZTPZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3.C6H14N4O2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14;7-4(5(11)12)2-1-3-10-6(8)9/h10,12H,2-9H2,1H3,(H,13,14);4H,1-3,7H2,(H,11,12)(H4,8,9,10).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid has a molecular weight of 376.50 g/mol, XLogP of 1.02, 14 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;10-hydroxyundecanoic acid is sourced from PubChem (CID 19069479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).