(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

C12H17N3O2S — CID 124860071

IUPAC(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C12H17N3O2S/c1-8(11(16)14-12(13)17)15-5-2-3-10(15)9-4-6-18-7-9/h4,6-8,10H,2-3,5H2,1H3,(H3,13,14,16,17)/t8-,10+/m1/s1
InChIKeyVHDAOFYZGHRVBA-SCZZXKLOSA-N
MW267.35 g/mol
LogP1.47
Rot. Bonds3

About (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (PubChem CID 124860071) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
PubChem CID124860071
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C12H17N3O2S/c1-8(11(16)14-12(13)17)15-5-2-3-10(15)9-4-6-18-7-9/h4,6-8,10H,2-3,5H2,1H3,(H3,13,14,16,17)/t8-,10+/m1/s1
InChIKeyVHDAOFYZGHRVBA-SCZZXKLOSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (CID 124860071) is (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)NC(N)=O)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The InChIKey is VHDAOFYZGHRVBA-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(11(16)14-12(13)17)15-5-2-3-10(15)9-4-6-18-7-9/h4,6-8,10H,2-3,5H2,1H3,(H3,13,14,16,17)/t8-,10+/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).