trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride

C6H12ClNO3 — CID 171382550

IUPACtrideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCl.[2H]C([2H])([2H])OC(=O)CCC(=O)CN
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/i1D3;
InChIKeyUJYSYPVQHFNBML-NIIDSAIPSA-N
MW184.64 g/mol
LogP-0.11
Rot. Bonds5

About trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride

trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride (PubChem CID 171382550) has the molecular formula C6H12ClNO3 and a molecular weight of 184.64 g/mol. Its IUPAC name is trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Nametrideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
PubChem CID171382550
Molecular FormulaC6H12ClNO3
Molecular Weight184.64 g/mol
Exact Mass184.07
IUPAC Nametrideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCl.[2H]C([2H])([2H])OC(=O)CCC(=O)CN
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/i1D3;
InChIKeyUJYSYPVQHFNBML-NIIDSAIPSA-N
XLogP-0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-4-oxopentanoate chloride
CID 53313200
methyl 7-amino-6-oxoheptanoate
CID 86034752
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
methyl 8-amino-7-oxooctanoate
CID 23251276
2-chloropropanoyl 5-amino-4-oxopentanoate
CID 175073903
trideuteriomethyl tetracosanoate
CID 172990177
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702
(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
CID 25155288
methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237
methyl 5-amino-4-oxopentanoate;4-methylbenzenesulfonic acid
CID 15952534
cyclohexyl 5-amino-4-oxopentanoate;hydrochloride
CID 22253131

Frequently Asked Questions

What is the IUPAC name of trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride?
The IUPAC name of trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride (CID 171382550) is trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride.
What is the SMILES notation for trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride?
The canonical SMILES for trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride is Cl.[2H]C([2H])([2H])OC(=O)CCC(=O)CN.
What is the InChIKey of trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride?
The InChIKey is UJYSYPVQHFNBML-NIIDSAIPSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/i1D3;.
What are the key properties of trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride?
trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride has a molecular weight of 184.64 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 171382550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).