methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate

C17H24N2O3 — CID 95967811

IUPACmethyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(12-15(20)22-2)18-17(21)16(19-10-6-7-11-19)14-8-4-3-5-9-14/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H,18,21)/t13-,16+/m1/s1
InChIKeyDDAJCDSFWZQHGK-CJNGLKHVSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds6

About methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate

methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate (PubChem CID 95967811) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
PubChem CID95967811
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(12-15(20)22-2)18-17(21)16(19-10-6-7-11-19)14-8-4-3-5-9-14/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H,18,21)/t13-,16+/m1/s1
InChIKeyDDAJCDSFWZQHGK-CJNGLKHVSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
methyl 3-benzamidobutanoate
CID 10857046
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
(2R)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 95328936
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate?
The IUPAC name of methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate (CID 95967811) is methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate.
What is the SMILES notation for methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate?
The canonical SMILES for methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate is COC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate?
The InChIKey is DDAJCDSFWZQHGK-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(12-15(20)22-2)18-17(21)16(19-10-6-7-11-19)14-8-4-3-5-9-14/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H,18,21)/t13-,16+/m1/s1.
What are the key properties of methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate?
methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate has a molecular weight of 304.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate is sourced from PubChem (CID 95967811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).