phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate

C13H17NO3 — CID 64591522

IUPACphenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H17NO3/c1-16-10-11-7-8-14(9-11)13(15)17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOHVUPSTUGGCCPN-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.15
Rot. Bonds3

About phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate

phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 64591522) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID64591522
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namephenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H17NO3/c1-16-10-11-7-8-14(9-11)13(15)17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOHVUPSTUGGCCPN-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
9H-fluoren-9-yl-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 91789060
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 80552619
2-[2,6-dimethyl-4-[[(3S)-1-phenoxycarbonylpyrrolidin-3-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 146605686
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
phenyl (4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
CID 101244890
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate (CID 64591522) is phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1CCN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is OHVUPSTUGGCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-10-11-7-8-14(9-11)13(15)17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate?
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 64591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).