2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

C16H25NO4 — CID 120547875

IUPAC2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(CC1CC2CCC1C2)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C16H25NO4/c18-14(8-13-7-10-3-4-11(13)6-10)17-15(16(19)20)12-2-1-5-21-9-12/h10-13,15H,1-9H2,(H,17,18)(H,19,20)
InChIKeyCRTRUMXWZNGSBG-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.81
Rot. Bonds5

About 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547875) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547875
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(CC1CC2CCC1C2)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C16H25NO4/c18-14(8-13-7-10-3-4-11(13)6-10)17-15(16(19)20)12-2-1-5-21-9-12/h10-13,15H,1-9H2,(H,17,18)(H,19,20)
InChIKeyCRTRUMXWZNGSBG-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid with MolForge

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Related Compounds

2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-[[2-(1,4-dithian-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548466
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
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
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
(2R)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 107830054
(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 61143196
2-(3-butylsulfanylpropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547768
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547875) is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is O=C(CC1CC2CCC1C2)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is CRTRUMXWZNGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-14(8-13-7-10-3-4-11(13)6-10)17-15(16(19)20)12-2-1-5-21-9-12/h10-13,15H,1-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).