methyl 5-amino-4-oxopentanoate chloride

C6H11ClNO3- — CID 53313200

IUPACmethyl 5-amino-4-oxopentanoate chloride
SMILESCOC(=O)CCC(=O)CN.[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/p-1
InChIKeyUJYSYPVQHFNBML-UHFFFAOYSA-M
MW180.61 g/mol
LogP-3.53
Rot. Bonds4

About methyl 5-amino-4-oxopentanoate chloride

methyl 5-amino-4-oxopentanoate chloride (PubChem CID 53313200) has the molecular formula C6H11ClNO3- and a molecular weight of 180.61 g/mol. Its IUPAC name is methyl 5-amino-4-oxopentanoate chloride.

Molecular Properties

Compound Namemethyl 5-amino-4-oxopentanoate chloride
PubChem CID53313200
Molecular FormulaC6H11ClNO3-
Molecular Weight180.61 g/mol
Exact Mass180.04
IUPAC Namemethyl 5-amino-4-oxopentanoate chloride
SMILESCOC(=O)CCC(=O)CN.[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/p-1
InChIKeyUJYSYPVQHFNBML-UHFFFAOYSA-M
XLogP-3.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-amino-6-oxoheptanoate
CID 86034752
methyl 8-amino-7-oxooctanoate
CID 23251276
trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
CID 171382550
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
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
4-O-ethyl 1-O-methyl butanedioate
CID 522068
potassium;hydride;methyl 2-aminoacetate
CID 175381316
2-chloropropanoyl 5-amino-4-oxopentanoate
CID 175073903
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
methyl 4-aminobutanoate;dihydrochloride
CID 170991800

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-oxopentanoate chloride?
The IUPAC name of methyl 5-amino-4-oxopentanoate chloride (CID 53313200) is methyl 5-amino-4-oxopentanoate chloride.
What is the SMILES notation for methyl 5-amino-4-oxopentanoate chloride?
The canonical SMILES for methyl 5-amino-4-oxopentanoate chloride is COC(=O)CCC(=O)CN.[Cl-].
What is the InChIKey of methyl 5-amino-4-oxopentanoate chloride?
The InChIKey is UJYSYPVQHFNBML-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H/p-1.
What are the key properties of methyl 5-amino-4-oxopentanoate chloride?
methyl 5-amino-4-oxopentanoate chloride has a molecular weight of 180.61 g/mol, XLogP of -3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-oxopentanoate chloride is sourced from PubChem (CID 53313200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).