2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

C10H18N2O5 — CID 55002383

IUPAC2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOC(=O)CCN(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,8(14)15)11-9(16)12(3)6-5-7(13)17-4/h5-6H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyRGGGUNKQXNKJAT-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.05
Rot. Bonds5

About 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55002383) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55002383
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOC(=O)CCN(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,8(14)15)11-9(16)12(3)6-5-7(13)17-4/h5-6H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyRGGGUNKQXNKJAT-UHFFFAOYSA-N
XLogP0.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic 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

methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 55002383) is 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is COC(=O)CCN(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is RGGGUNKQXNKJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,8(14)15)11-9(16)12(3)6-5-7(13)17-4/h5-6H2,1-4H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55002383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).