1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H18N2O3S — CID 63030379

IUPAC1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C14H18N2O3S/c17-13(18)10-5-6-15(8-10)14(19)16(11-3-4-11)9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18)
InChIKeyYHJQONRGGCLVTF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.24
Rot. Bonds4

About 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030379) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030379
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C14H18N2O3S/c17-13(18)10-5-6-15(8-10)14(19)16(11-3-4-11)9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18)
InChIKeyYHJQONRGGCLVTF-UHFFFAOYSA-N
XLogP2.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712203
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63030379) is 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YHJQONRGGCLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(18)10-5-6-15(8-10)14(19)16(11-3-4-11)9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18).
What are the key properties of 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).