(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide

C14H17N3O3 — CID 169203354

IUPAC(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
SMILESCOc1ccc2c(C(=O)CNC(=O)[C@H](C)N)ccn2c1
InChIInChI=1S/C14H17N3O3/c1-9(15)14(19)16-7-13(18)11-5-6-17-8-10(20-2)3-4-12(11)17/h3-6,8-9H,7,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyKITMSAVFBPFEPK-VIFPVBQESA-N
MW275.31 g/mol
LogP0.59
Rot. Bonds5

About (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide

(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide (PubChem CID 169203354) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
PubChem CID169203354
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
SMILESCOc1ccc2c(C(=O)CNC(=O)[C@H](C)N)ccn2c1
InChIInChI=1S/C14H17N3O3/c1-9(15)14(19)16-7-13(18)11-5-6-17-8-10(20-2)3-4-12(11)17/h3-6,8-9H,7,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyKITMSAVFBPFEPK-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-(6-methoxyindolizin-1-yl)ethanone
CID 169203261
(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
CID 176624551
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide
CID 169203013
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide (CID 169203354) is (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide is COc1ccc2c(C(=O)CNC(=O)[C@H](C)N)ccn2c1.
What is the InChIKey of (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
The InChIKey is KITMSAVFBPFEPK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(15)14(19)16-7-13(18)11-5-6-17-8-10(20-2)3-4-12(11)17/h3-6,8-9H,7,15H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide?
(2S)-2-amino-N-[2-(6-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-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 169203354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).