(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

C6H15ClN4O2 — CID 12326

IUPAC(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
SMILESCl.NC(N)=NCCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1
InChIKeyKWTQSFXGGICVPE-PGMHMLKASA-N
MW210.66 g/mol
LogP-1.13
Rot. Bonds5

About (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride (PubChem CID 12326) has the molecular formula C6H15ClN4O2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
PubChem CID12326
Molecular FormulaC6H15ClN4O2
Molecular Weight210.66 g/mol
Exact Mass210.09
IUPAC Name(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
SMILESCl.NC(N)=NCCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1
InChIKeyKWTQSFXGGICVPE-PGMHMLKASA-N
XLogP-1.13
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-1.13
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'}

Analyze (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Arginine
CID 6322
N,N-Dimethylarginine
CID 123831
L-Homoarginine
CID 9085
D-Arginine
CID 71070
L-Arginine, monohydrochloride
CID 66250
Ornithine hydrochloride
CID 76654
DL-Arginine
CID 232
Protonated arginine
CID 28782
Arginine Glutamate
CID 165268
N5-(1-iminoethyl)-L-ornithine
CID 107984
Nomega-Hydroxy-L-arginine
CID 123895
2-Amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
CID 501

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride (CID 12326) is (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride is Cl.NC(N)=NCCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The InChIKey is KWTQSFXGGICVPE-PGMHMLKASA-N. The full InChI is InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m1./s1.
What are the key properties of (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 12326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).