(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O5 — CID 63842705

IUPAC(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N2O5/c17-10-6-12(13(18)19)16(7-10)14(20)15(9-3-4-9)8-11-2-1-5-21-11/h1-2,5,9-10,12,17H,3-4,6-8H2,(H,18,19)/t10-,12+/m1/s1
InChIKeySGLILQPALAIPPM-PWSUYJOCSA-N
MW294.31 g/mol
LogP0.88
Rot. Bonds4

About (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63842705) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63842705
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N2O5/c17-10-6-12(13(18)19)16(7-10)14(20)15(9-3-4-9)8-11-2-1-5-21-11/h1-2,5,9-10,12,17H,3-4,6-8H2,(H,18,19)/t10-,12+/m1/s1
InChIKeySGLILQPALAIPPM-PWSUYJOCSA-N
XLogP0.88
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid 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

(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712203
1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43209855
(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 167883532
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
1-[furan-3-ylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61422268
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
(2R,4R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999616
3-[furan-2-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198091
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63842705) is (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is SGLILQPALAIPPM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-10-6-12(13(18)19)16(7-10)14(20)15(9-3-4-9)8-11-2-1-5-21-11/h1-2,5,9-10,12,17H,3-4,6-8H2,(H,18,19)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).