(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid

C16H20N2O5 — CID 120978207

IUPAC(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccco1
InChIInChI=1S/C16H20N2O5/c19-14(5-6-17-15(20)13-2-1-7-23-13)18-8-11(10-3-4-10)12(9-18)16(21)22/h1-2,7,10-12H,3-6,8-9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyAIKAOAKPMMVWIU-NEPJUHHUSA-N
MW320.35 g/mol
LogP0.97
Rot. Bonds6

About (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978207) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID120978207
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccco1
InChIInChI=1S/C16H20N2O5/c19-14(5-6-17-15(20)13-2-1-7-23-13)18-8-11(10-3-4-10)12(9-18)16(21)22/h1-2,7,10-12H,3-6,8-9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyAIKAOAKPMMVWIU-NEPJUHHUSA-N
XLogP0.97
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

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
(3R,4R)-4-cyclopropyl-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 120979628
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
(3R,4R)-4-cyclopropyl-1-(2-phenylmethoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120978786
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide
CID 124721227
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid (CID 120978207) is (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid is O=C(NCCC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1)c1ccco1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AIKAOAKPMMVWIU-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-14(5-6-17-15(20)13-2-1-7-23-13)18-8-11(10-3-4-10)12(9-18)16(21)22/h1-2,7,10-12H,3-6,8-9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).