ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate

C16H22N2O4 — CID 10566577

IUPACethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@H](c2ccccc2OC)N1C(=O)CN
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)13-9-8-12(18(13)15(19)10-17)11-6-4-5-7-14(11)21-2/h4-7,12-13H,3,8-10,17H2,1-2H3/t12-,13+/m1/s1
InChIKeyMCABAKGPMMRUFC-OLZOCXBDSA-N
MW306.36 g/mol
LogP1.25
Rot. Bonds5

About ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate

ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate (PubChem CID 10566577) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
PubChem CID10566577
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@H](c2ccccc2OC)N1C(=O)CN
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)13-9-8-12(18(13)15(19)10-17)11-6-4-5-7-14(11)21-2/h4-7,12-13H,3,8-10,17H2,1-2H3/t12-,13+/m1/s1
InChIKeyMCABAKGPMMRUFC-OLZOCXBDSA-N
XLogP1.25
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
CID 15837674
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
ethyl 3-(4-bromobenzoyl)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 42727849
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
2,2,2-trichloroethyl (4S)-4-(2-methoxyphenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 11246710

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate (CID 10566577) is ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CC[C@H](c2ccccc2OC)N1C(=O)CN.
What is the InChIKey of ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The InChIKey is MCABAKGPMMRUFC-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-16(20)13-9-8-12(18(13)15(19)10-17)11-6-4-5-7-14(11)21-2/h4-7,12-13H,3,8-10,17H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).