(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide

C17H24N2O3 — CID 128980014

IUPAC(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-21-15-8-16(17(18)20)19(10-15)9-12-4-6-14(7-5-12)22-11-13-2-3-13/h4-7,13,15-16H,2-3,8-11H2,1H3,(H2,18,20)/t15-,16-/m0/s1
InChIKeyAGGSQAYBVOLMJO-HOTGVXAUSA-N
MW304.39 g/mol
LogP1.55
Rot. Bonds7

About (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128980014) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128980014
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-21-15-8-16(17(18)20)19(10-15)9-12-4-6-14(7-5-12)22-11-13-2-3-13/h4-7,13,15-16H,2-3,8-11H2,1H3,(H2,18,20)/t15-,16-/m0/s1
InChIKeyAGGSQAYBVOLMJO-HOTGVXAUSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979752
(2S,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidine-2-carboxamide
CID 128980039
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 128979751
(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982159
(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide
CID 128984129
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
(2S,4S)-4-methoxy-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979882
(2S,4S)-1-[(5-bromo-2-chlorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979984
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 167877262
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide (CID 128980014) is (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is AGGSQAYBVOLMJO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-15-8-16(17(18)20)19(10-15)9-12-4-6-14(7-5-12)22-11-13-2-3-13/h4-7,13,15-16H,2-3,8-11H2,1H3,(H2,18,20)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128980014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).