2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid

C14H23NO5 — CID 120547465

IUPAC2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(COC1CCCC1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H23NO5/c16-12(9-20-11-5-1-2-6-11)15-13(14(17)18)10-4-3-7-19-8-10/h10-11,13H,1-9H2,(H,15,16)(H,17,18)
InChIKeyXUMNBEKLSNVGNI-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid

2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547465) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547465
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(COC1CCCC1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H23NO5/c16-12(9-20-11-5-1-2-6-11)15-13(14(17)18)10-4-3-7-19-8-10/h10-11,13H,1-9H2,(H,15,16)(H,17,18)
InChIKeyXUMNBEKLSNVGNI-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

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Related Compounds

2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547784
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548156
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
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-(3-chloro-2-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid (CID 120547465) is 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid is O=C(COC1CCCC1)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is XUMNBEKLSNVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c16-12(9-20-11-5-1-2-6-11)15-13(14(17)18)10-4-3-7-19-8-10/h10-11,13H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(2-cyclopentyloxyacetyl)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-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).