cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C20H21NO5 — CID 125154200

IUPACcis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-25-14-7-3-12(4-8-14)18(13-5-9-15(26-2)10-6-13)21-19(22)16-11-17(16)20(23)24/h3-10,16-18H,11H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+/m1/s1
InChIKeyYUFIDRRBKHGYJX-SJORKVTESA-N
MW355.39 g/mol
LogP2.63
Rot. Bonds7

About cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125154200) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125154200
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namecis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-25-14-7-3-12(4-8-14)18(13-5-9-15(26-2)10-6-13)21-19(22)16-11-17(16)20(23)24/h3-10,16-18H,11H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+/m1/s1
InChIKeyYUFIDRRBKHGYJX-SJORKVTESA-N
XLogP2.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
(1S,6S)-6-[[(S)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11893824
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
trans-(1R,2R)-2-[[(3R)-3-(4-methoxyphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132736
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 167774325
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 125154200) is cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(C(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccc(OC)cc2)cc1.
What is the InChIKey of cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YUFIDRRBKHGYJX-SJORKVTESA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-14-7-3-12(4-8-14)18(13-5-9-15(26-2)10-6-13)21-19(22)16-11-17(16)20(23)24/h3-10,16-18H,11H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125154200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).