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

C14H18N2O4S — CID 64712203

IUPAC(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H18N2O4S/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-/m0/s1
InChIKeyZLAQAVCGVBFMKJ-JQWIXIFHSA-N
MW310.38 g/mol
LogP1.35
Rot. Bonds4

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

(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64712203) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64712203
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H18N2O4S/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-/m0/s1
InChIKeyZLAQAVCGVBFMKJ-JQWIXIFHSA-N
XLogP1.35
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712718
(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842705
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
4-hydroxy-1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63292406
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
(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
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64712203) is (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZLAQAVCGVBFMKJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18N2O4S/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-/m0/s1.
What are the key properties of (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).