(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

C6H14N4O2 — CID 6322

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IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-N
MW174.20 g/mol
LogP-1.55
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 6322) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
PubChem CID6322
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-N
XLogP-1.55
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

L-(-)-Ornithine
CID 6262
N,N-Dimethylarginine
CID 123831
L-Homoarginine
CID 9085
L-Arginine, monohydrochloride
CID 66250
D-Arginine
CID 71070
DL-Arginine
CID 232
Protonated arginine
CID 28782
D-Ornithine
CID 71082
S-methyl-L-thiocitrulline
CID 107968
Arginine Glutamate
CID 165268
N5-(1-iminoethyl)-L-ornithine
CID 107984
Nomega-Hydroxy-L-arginine
CID 123895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid (CID 6322) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is ODKSFYDXXFIFQN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 6322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).