(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide

C8H13N3O2 — CID 16749488

IUPAC(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide
SMILESC[C@H](NC1=CC(=O)N[C@H]1C)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-4-6(3-7(12)11-4)10-5(2)8(9)13/h3-5,10H,1-2H3,(H2,9,13)(H,11,12)/t4-,5-/m0/s1
InChIKeyFTWLEGOIGUSXNR-WHFBIAKZSA-N
MW183.21 g/mol
LogP-1.15
Rot. Bonds3

About (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide

(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide (PubChem CID 16749488) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide
PubChem CID16749488
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide
SMILESC[C@H](NC1=CC(=O)N[C@H]1C)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-4-6(3-7(12)11-4)10-5(2)8(9)13/h3-5,10H,1-2H3,(H2,9,13)(H,11,12)/t4-,5-/m0/s1
InChIKeyFTWLEGOIGUSXNR-WHFBIAKZSA-N
XLogP-1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide (CID 16749488) is (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide is C[C@H](NC1=CC(=O)N[C@H]1C)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide?
The InChIKey is FTWLEGOIGUSXNR-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-6(3-7(12)11-4)10-5(2)8(9)13/h3-5,10H,1-2H3,(H2,9,13)(H,11,12)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide?
(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide has a molecular weight of 183.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide is sourced from PubChem (CID 16749488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).