(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride

C6H15ClN4O2 — CID 135705200

IUPAC(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
SMILESCl.N[13C](N)=N[13CH2][13CH2][13CH2][13C@@H](N)[13C](=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/i1+1,2+1,3+1,4+1,5+1,6+1;
InChIKeyKWTQSFXGGICVPE-ZLMAMRJUSA-N
MW216.62 g/mol
LogP-1.13
Rot. Bonds5

About (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride

(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride (PubChem CID 135705200) has the molecular formula C6H15ClN4O2 and a molecular weight of 216.62 g/mol. Its IUPAC name is (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
PubChem CID135705200
Molecular FormulaC6H15ClN4O2
Molecular Weight216.62 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
SMILESCl.N[13C](N)=N[13CH2][13CH2][13CH2][13C@@H](N)[13C](=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/i1+1,2+1,3+1,4+1,5+1,6+1;
InChIKeyKWTQSFXGGICVPE-ZLMAMRJUSA-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 ≤ 500216.62
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'}

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Related Compounds

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calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride (CID 135705200) is (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride is Cl.N[13C](N)=N[13CH2][13CH2][13CH2][13C@@H](N)[13C](=O)O.
What is the InChIKey of (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride?
The InChIKey is KWTQSFXGGICVPE-ZLMAMRJUSA-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/i1+1,2+1,3+1,4+1,5+1,6+1;.
What are the key properties of (2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride?
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride has a molecular weight of 216.62 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-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride is sourced from PubChem (CID 135705200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).