ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate

C18H24N2O4 — CID 10496803

IUPACethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-2-24-17(22)10-11-19-18(23)15-9-6-12-20(15)16(21)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyOCBDPPBRBDPBFO-HNNXBMFYSA-N
MW332.40 g/mol
LogP1.29
Rot. Bonds7

About ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate

ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 10496803) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID10496803
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-2-24-17(22)10-11-19-18(23)15-9-6-12-20(15)16(21)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyOCBDPPBRBDPBFO-HNNXBMFYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95765004
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144
ethyl 3-methyl-2-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]imidazole-4-carboxylate
CID 99800978
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate (CID 10496803) is ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is OCBDPPBRBDPBFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-24-17(22)10-11-19-18(23)15-9-6-12-20(15)16(21)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate?
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 332.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 10496803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).