5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid

C12H21NO5 — CID 62964741

IUPAC5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
SMILESCCCN(CC(=O)OC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H21NO5/c1-4-5-13(8-12(17)18-3)10(14)6-9(2)7-11(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyNMRSXRIEGFEYOX-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.90
Rot. Bonds8

About 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid

5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964741) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62964741
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
SMILESCCCN(CC(=O)OC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H21NO5/c1-4-5-13(8-12(17)18-3)10(14)6-9(2)7-11(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyNMRSXRIEGFEYOX-UHFFFAOYSA-N
XLogP0.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid (CID 62964741) is 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid is CCCN(CC(=O)OC)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is NMRSXRIEGFEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-4-5-13(8-12(17)18-3)10(14)6-9(2)7-11(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid?
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 259.30 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).