(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride

C10H22ClNO2 — CID 57408903

IUPAC(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])CC[C@@H](C)C[C@H](N)CC(=O)O
InChIInChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H/t8-,9+;/m1./s1/i1D3,3D2;
InChIKeyFYCSIYCCNLNGLF-OYULMJKKSA-N
MW228.77 g/mol
LogP2.43
Rot. Bonds8

About (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride

(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride (PubChem CID 57408903) has the molecular formula C10H22ClNO2 and a molecular weight of 228.77 g/mol. Its IUPAC name is (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
PubChem CID57408903
Molecular FormulaC10H22ClNO2
Molecular Weight228.77 g/mol
Exact Mass228.17
IUPAC Name(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])CC[C@@H](C)C[C@H](N)CC(=O)O
InChIInChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H/t8-,9+;/m1./s1/i1D3,3D2;
InChIKeyFYCSIYCCNLNGLF-OYULMJKKSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride with MolForge

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Related Compounds

3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
3-amino-9-methoxy-5,9-dimethyldecanoic acid
CID 170872504
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
(3S,5R)-5-amino-3,8-dimethylnonanoic acid
CID 125425710
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
CID 11471040
(3S,5R)-3-amino-7-anilino-5-methylheptanoic acid
CID 68857725
3,6-diamino-5-hydroxyheptanoic acid
CID 22042009
tert-butyl (3S,5R)-3-amino-5-methylnonanoate
CID 86594296
10-amino-3-methyldecanoic acid
CID 2832731

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride?
The IUPAC name of (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride (CID 57408903) is (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride.
What is the SMILES notation for (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride?
The canonical SMILES for (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])CC[C@@H](C)C[C@H](N)CC(=O)O.
What is the InChIKey of (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride?
The InChIKey is FYCSIYCCNLNGLF-OYULMJKKSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H/t8-,9+;/m1./s1/i1D3,3D2;.
What are the key properties of (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride?
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride is sourced from PubChem (CID 57408903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).