methyl 5-amino-2-oxopentanoate;hydrochloride

C6H12ClNO3 — CID 140983642

IUPACmethyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)5(8)3-2-4-7;/h2-4,7H2,1H3;1H
InChIKeyKCUIQFUYGFCMDJ-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.11
Rot. Bonds4

About methyl 5-amino-2-oxopentanoate;hydrochloride

methyl 5-amino-2-oxopentanoate;hydrochloride (PubChem CID 140983642) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl 5-amino-2-oxopentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-amino-2-oxopentanoate;hydrochloride
PubChem CID140983642
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)5(8)3-2-4-7;/h2-4,7H2,1H3;1H
InChIKeyKCUIQFUYGFCMDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-amino-2,7-dioxoheptanoate
CID 146281507
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
methyl 6-amino-2,3-dimethylhex-2-enoate
CID 57195661
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323
methyl 2-(2-aminoethyl)but-2-enoate
CID 57312138
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
methyl 8-[amino(sulfanyloxy)amino]-2,8-dioxooctanoate
CID 146281530
dimethyl (Z)-2-methoxy-7-oxooct-2-enedioate
CID 11993938
methyl 2-oxoundec-10-enoate
CID 163362437
dimethyl (2S)-2-acetamido-6-oxoheptanedioate
CID 15289008
(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid
CID 57233840

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-oxopentanoate;hydrochloride?
The IUPAC name of methyl 5-amino-2-oxopentanoate;hydrochloride (CID 140983642) is methyl 5-amino-2-oxopentanoate;hydrochloride.
What is the SMILES notation for methyl 5-amino-2-oxopentanoate;hydrochloride?
The canonical SMILES for methyl 5-amino-2-oxopentanoate;hydrochloride is COC(=O)C(=O)CCCN.Cl.
What is the InChIKey of methyl 5-amino-2-oxopentanoate;hydrochloride?
The InChIKey is KCUIQFUYGFCMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-6(9)5(8)3-2-4-7;/h2-4,7H2,1H3;1H.
What are the key properties of methyl 5-amino-2-oxopentanoate;hydrochloride?
methyl 5-amino-2-oxopentanoate;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxopentanoate;hydrochloride is sourced from PubChem (CID 140983642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).