3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid

C18H25NO5 — CID 129469789

IUPAC3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H](C)C1CCOCC1
InChIInChI=1S/C18H25NO5/c1-11(2)24-16-5-4-14(18(21)22)10-15(16)19-17(20)12(3)13-6-8-23-9-7-13/h4-5,10-13H,6-9H2,1-3H3,(H,19,20)(H,21,22)/t12-/m1/s1
InChIKeyKZDQBGNWZIMTNP-GFCCVEGCSA-N
MW335.40 g/mol
LogP3.17
Rot. Bonds6

About 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid

3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 129469789) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID129469789
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H](C)C1CCOCC1
InChIInChI=1S/C18H25NO5/c1-11(2)24-16-5-4-14(18(21)22)10-15(16)19-17(20)12(3)13-6-8-23-9-7-13/h4-5,10-13H,6-9H2,1-3H3,(H,19,20)(H,21,22)/t12-/m1/s1
InChIKeyKZDQBGNWZIMTNP-GFCCVEGCSA-N
XLogP3.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid with MolForge

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Related Compounds

3-[[2-(oxan-4-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196386
4-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120684653
4-propan-2-yloxy-3-(spiro[2.2]pentane-2-carbonylamino)benzoic acid
CID 122107361
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196283
3-(cyclohex-3-ene-1-carbonylamino)-4-propan-2-yloxybenzoic acid
CID 119196264
3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196435
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196657
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196636
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
3-(oxan-2-ylmethylsulfonylamino)-4-propan-2-yloxybenzoic acid
CID 136513692

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid (CID 129469789) is 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H](C)C1CCOCC1.
What is the InChIKey of 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is KZDQBGNWZIMTNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25NO5/c1-11(2)24-16-5-4-14(18(21)22)10-15(16)19-17(20)12(3)13-6-8-23-9-7-13/h4-5,10-13H,6-9H2,1-3H3,(H,19,20)(H,21,22)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 335.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 129469789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).