(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid

C14H18N2O4 — CID 102944542

IUPAC(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)10-5-3-9(4-6-10)15-13(17)11-7-8-12(20-11)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyBNAKLMDUGTYDOJ-NWDGAFQWSA-N
MW278.31 g/mol
LogP1.32
Rot. Bonds4

About (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944542) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944542
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)10-5-3-9(4-6-10)15-13(17)11-7-8-12(20-11)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyBNAKLMDUGTYDOJ-NWDGAFQWSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid (CID 102944542) is (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid is CN(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1.
What is the InChIKey of (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BNAKLMDUGTYDOJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)10-5-3-9(4-6-10)15-13(17)11-7-8-12(20-11)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).