N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C16H22N2O3 — CID 129481337

IUPACN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-14-4-2-3-11(7-14)15-8-13(19)9-18(15)10-16(20)17-12-5-6-12/h2-4,7,12-13,15,19H,5-6,8-10H2,1H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyYGPMJQVLUPNBRQ-ZFWWWQNUSA-N
MW290.36 g/mol
LogP1.08
Rot. Bonds5

About N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 129481337) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID129481337
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-14-4-2-3-11(7-14)15-8-13(19)9-18(15)10-16(20)17-12-5-6-12/h2-4,7,12-13,15,19H,5-6,8-10H2,1H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyYGPMJQVLUPNBRQ-ZFWWWQNUSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
CID 99715090
N-cyclopropyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
CID 99715091
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548
N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129349963
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129480939
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
3-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100736736
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
(3R,5S)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346555
(3R,5R)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346553

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 129481337) is N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is YGPMJQVLUPNBRQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-4-2-3-11(7-14)15-8-13(19)9-18(15)10-16(20)17-12-5-6-12/h2-4,7,12-13,15,19H,5-6,8-10H2,1H3,(H,17,20)/t13-,15-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129481337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).