(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide

C14H17N3O3 — CID 176624551

IUPAC(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
SMILESCOc1cccn2ccc(C(=O)CNC(=O)[C@H](C)N)c12
InChIInChI=1S/C14H17N3O3/c1-9(15)14(19)16-8-11(18)10-5-7-17-6-3-4-12(20-2)13(10)17/h3-7,9H,8,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyHBXVWTRUYJRGPD-VIFPVBQESA-N
MW275.31 g/mol
LogP0.59
Rot. Bonds5

About (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide

(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide (PubChem CID 176624551) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
PubChem CID176624551
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
SMILESCOc1cccn2ccc(C(=O)CNC(=O)[C@H](C)N)c12
InChIInChI=1S/C14H17N3O3/c1-9(15)14(19)16-8-11(18)10-5-7-17-6-3-4-12(20-2)13(10)17/h3-7,9H,8,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyHBXVWTRUYJRGPD-VIFPVBQESA-N
XLogP0.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
CID 169203354
8-methoxyindolizine-1-carboxylic acid
CID 169203127
2-amino-1-(8-fluoroindolizin-1-yl)propan-1-one
CID 169203280
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94270193
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
CID 94262493
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide (CID 176624551) is (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide is COc1cccn2ccc(C(=O)CNC(=O)[C@H](C)N)c12.
What is the InChIKey of (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The InChIKey is HBXVWTRUYJRGPD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(15)14(19)16-8-11(18)10-5-7-17-6-3-4-12(20-2)13(10)17/h3-7,9H,8,15H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 176624551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).