(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

C22H23NO5 — CID 125153479

IUPAC(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCO1
InChIInChI=1S/C22H23NO5/c24-21(23-10-11-27-20(13-23)22(25)26)19-12-18(19)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,25,26)/t18-,19+,20+/m1/s1
InChIKeyUTUSSHLZFYBDQD-AABGKKOBSA-N
MW381.43 g/mol
LogP2.68
Rot. Bonds6

About (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 125153479) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
PubChem CID125153479
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCO1
InChIInChI=1S/C22H23NO5/c24-21(23-10-11-27-20(13-23)22(25)26)19-12-18(19)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,25,26)/t18-,19+,20+/m1/s1
InChIKeyUTUSSHLZFYBDQD-AABGKKOBSA-N
XLogP2.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 166307589
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152161
(2S)-4-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152163
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125120523
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 74227620
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (CID 125153479) is (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCO1.
What is the InChIKey of (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is UTUSSHLZFYBDQD-AABGKKOBSA-N. The full InChI is InChI=1S/C22H23NO5/c24-21(23-10-11-27-20(13-23)22(25)26)19-12-18(19)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,25,26)/t18-,19+,20+/m1/s1.
What are the key properties of (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125153479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).