2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

C14H23NO5 — CID 120690223

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOC1(CC(=O)NC(C(=O)O)C2CCCOC2)CCC1
InChIInChI=1S/C14H23NO5/c1-19-14(5-3-6-14)8-11(16)15-12(13(17)18)10-4-2-7-20-9-10/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyPKMFJCAYWAOHAY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.94
Rot. Bonds6

About 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120690223) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120690223
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOC1(CC(=O)NC(C(=O)O)C2CCCOC2)CCC1
InChIInChI=1S/C14H23NO5/c1-19-14(5-3-6-14)8-11(16)15-12(13(17)18)10-4-2-7-20-9-10/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyPKMFJCAYWAOHAY-UHFFFAOYSA-N
XLogP0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid with MolForge

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Related Compounds

2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
2-(3-butylsulfanylpropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547768
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120690223) is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is COC1(CC(=O)NC(C(=O)O)C2CCCOC2)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is PKMFJCAYWAOHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-19-14(5-3-6-14)8-11(16)15-12(13(17)18)10-4-2-7-20-9-10/h10,12H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120690223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).