N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide

C13H18N2O4 — CID 79030088

IUPACN-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CC[C@H](O)C1)c1ccco1
InChIInChI=1S/C13H18N2O4/c16-10-5-7-15(9-10)12(17)4-1-6-14-13(18)11-3-2-8-19-11/h2-3,8,10,16H,1,4-7,9H2,(H,14,18)/t10-/m0/s1
InChIKeyBXCNNDGFRYPZKE-JTQLQIEISA-N
MW266.30 g/mol
LogP0.38
Rot. Bonds5

About N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide

N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 79030088) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
PubChem CID79030088
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CC[C@H](O)C1)c1ccco1
InChIInChI=1S/C13H18N2O4/c16-10-5-7-15(9-10)12(17)4-1-6-14-13(18)11-3-2-8-19-11/h2-3,8,10,16H,1,4-7,9H2,(H,14,18)/t10-/m0/s1
InChIKeyBXCNNDGFRYPZKE-JTQLQIEISA-N
XLogP0.38
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 51288044
N-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 39759523
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 35349485
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide (CID 79030088) is N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide is O=C(NCCCC(=O)N1CC[C@H](O)C1)c1ccco1.
What is the InChIKey of N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is BXCNNDGFRYPZKE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c16-10-5-7-15(9-10)12(17)4-1-6-14-13(18)11-3-2-8-19-11/h2-3,8,10,16H,1,4-7,9H2,(H,14,18)/t10-/m0/s1.
What are the key properties of N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 79030088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).