2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid

C9H15NO4 — CID 103240366

IUPAC2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
SMILESCOC(=O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-14-7(11)4-5-10-8(9(12)13)6-2-3-6/h6,8,10H,2-5H2,1H3,(H,12,13)
InChIKeyOFYXCWPSSSKKSI-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds6

About 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid

2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid (PubChem CID 103240366) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
PubChem CID103240366
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
SMILESCOC(=O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-14-7(11)4-5-10-8(9(12)13)6-2-3-6/h6,8,10H,2-5H2,1H3,(H,12,13)
InChIKeyOFYXCWPSSSKKSI-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid (CID 103240366) is 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid is COC(=O)CCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid?
The InChIKey is OFYXCWPSSSKKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-7(11)4-5-10-8(9(12)13)6-2-3-6/h6,8,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid?
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid is sourced from PubChem (CID 103240366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).