(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride

C6H15ClN2O2 — CID 71309084

IUPAC(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
SMILESCl.NCCCC[13C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i5+1;
InChIKeyBVHLGVCQOALMSV-NSINKEICSA-N
MW183.64 g/mol
LogP-0.05
Rot. Bonds5

About (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride

(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride (PubChem CID 71309084) has the molecular formula C6H15ClN2O2 and a molecular weight of 183.64 g/mol. Its IUPAC name is (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
PubChem CID71309084
Molecular FormulaC6H15ClN2O2
Molecular Weight183.64 g/mol
Exact Mass183.09
IUPAC Name(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
SMILESCl.NCCCC[13C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i5+1;
InChIKeyBVHLGVCQOALMSV-NSINKEICSA-N
XLogP-0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
2,6-diaminohexanoic acid;zinc;hydrochloride
CID 88512669
2,6-diaminohexanoic acid;methane;hydrochloride
CID 175503313
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride?
The IUPAC name of (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride (CID 71309084) is (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride?
The canonical SMILES for (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride is Cl.NCCCC[13C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride?
The InChIKey is BVHLGVCQOALMSV-NSINKEICSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i5+1;.
What are the key properties of (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride?
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino(213C)hexanoic acid;hydrochloride is sourced from PubChem (CID 71309084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).