3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate

C11H20NO3- — CID 59980072

IUPAC3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate
SMILESCC(C)C(=O)CN(CCC(=O)[O-])C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)10(13)7-12(9(3)4)6-5-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/p-1
InChIKeyACUPKQQEQZAFFI-UHFFFAOYSA-M
MW214.28 g/mol
LogP0.06
Rot. Bonds7

About 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate

3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate (PubChem CID 59980072) has the molecular formula C11H20NO3- and a molecular weight of 214.28 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate.

Molecular Properties

Compound Name3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate
PubChem CID59980072
Molecular FormulaC11H20NO3-
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate
SMILESCC(C)C(=O)CN(CCC(=O)[O-])C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)10(13)7-12(9(3)4)6-5-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/p-1
InChIKeyACUPKQQEQZAFFI-UHFFFAOYSA-M
XLogP0.06
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate 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

1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
3-methyl-1-[methyl-(propan-2-ylamino)amino]butan-2-one
CID 59465364
3-methyl-1-[propan-2-yl(sulfanyl)amino]butan-2-one
CID 155097445
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
CID 176581358
1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
CID 134294536
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
CID 70699979
lithium 4-[di(nonadecyl)amino]pentanoate
CID 101314270
lithium 4-(didodecylamino)pentanoate
CID 101314130
lithium 4-[di(nonyl)amino]pentanoate
CID 101314070
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-methyl-N-propan-2-ylacetamide
CID 54997818

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate?
The IUPAC name of 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate (CID 59980072) is 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate.
What is the SMILES notation for 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate?
The canonical SMILES for 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate is CC(C)C(=O)CN(CCC(=O)[O-])C(C)C.
What is the InChIKey of 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate?
The InChIKey is ACUPKQQEQZAFFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO3/c1-8(2)10(13)7-12(9(3)4)6-5-11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/p-1.
What are the key properties of 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate?
3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate has a molecular weight of 214.28 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxobutyl)-propan-2-ylamino]propanoate is sourced from PubChem (CID 59980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).