2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C12H20N2O5 — CID 82786524

IUPAC2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1(N)CCC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-10(16)4-3-8(11(17)18)14-9(15)7-12(13)5-2-6-12/h8H,2-7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyCEUQSWSLDKXPTE-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82786524) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82786524
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1(N)CCC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-10(16)4-3-8(11(17)18)14-9(15)7-12(13)5-2-6-12/h8H,2-7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyCEUQSWSLDKXPTE-UHFFFAOYSA-N
XLogP-0.22
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
CID 102656504
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 82786524) is 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)CC1(N)CCC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is CEUQSWSLDKXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-10(16)4-3-8(11(17)18)14-9(15)7-12(13)5-2-6-12/h8H,2-7,13H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).