1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid

C15H17NO4 — CID 104855967

IUPAC1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)[C@H]1CCCO1
InChIInChI=1S/C15H17NO4/c17-13(12-2-1-9-20-12)16-11-5-3-10(4-6-11)15(7-8-15)14(18)19/h3-6,12H,1-2,7-9H2,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDZKBEXDVHXPUED-GFCCVEGCSA-N
MW275.30 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid

1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 104855967) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID104855967
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)[C@H]1CCCO1
InChIInChI=1S/C15H17NO4/c17-13(12-2-1-9-20-12)16-11-5-3-10(4-6-11)15(7-8-15)14(18)19/h3-6,12H,1-2,7-9H2,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDZKBEXDVHXPUED-GFCCVEGCSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
CID 43062523
N-phenyloxolane-2-carboxamide
CID 3453643
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid (CID 104855967) is 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CC2)cc1)[C@H]1CCCO1.
What is the InChIKey of 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is DZKBEXDVHXPUED-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13(12-2-1-9-20-12)16-11-5-3-10(4-6-11)15(7-8-15)14(18)19/h3-6,12H,1-2,7-9H2,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 104855967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).