methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate

C14H18N2O5 — CID 43409956

IUPACmethyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-8-16(10)12(17)6-7-15-13(18)11-5-3-9-21-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,15,18)
InChIKeyRWSHJKVUMWSNGY-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.56
Rot. Bonds5

About methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate

methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 43409956) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
PubChem CID43409956
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-8-16(10)12(17)6-7-15-13(18)11-5-3-9-21-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,15,18)
InChIKeyRWSHJKVUMWSNGY-UHFFFAOYSA-N
XLogP0.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 120572709
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate (CID 43409956) is methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CCNC(=O)c1ccco1.
What is the InChIKey of methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is RWSHJKVUMWSNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-8-16(10)12(17)6-7-15-13(18)11-5-3-9-21-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,15,18).
What are the key properties of methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43409956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).