2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide

C18H25N3O3 — CID 72904594

IUPAC2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C2CC2)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)10-21-8-15(14-6-7-14)16(9-21)20-18(23)12-24-11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyJWXFXPRMADAKII-CVEARBPZSA-N
MW331.42 g/mol
LogP0.52
Rot. Bonds8

About 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide

2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide (PubChem CID 72904594) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
PubChem CID72904594
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C2CC2)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)10-21-8-15(14-6-7-14)16(9-21)20-18(23)12-24-11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyJWXFXPRMADAKII-CVEARBPZSA-N
XLogP0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 133127632
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide
CID 133138745
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 133113348
(3R,4R)-4-cyclopropyl-1-(2-phenylmethoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120978786
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
N-cyclopentyloxy-2-phenylmethoxyacetamide
CID 83202202
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide (CID 72904594) is 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide is NC(=O)CN1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C2CC2)C1.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide?
The InChIKey is JWXFXPRMADAKII-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(22)10-21-8-15(14-6-7-14)16(9-21)20-18(23)12-24-11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide?
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72904594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).