2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide

C12H17N3O2 — CID 81318090

IUPAC2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccccc1CN)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(12(14)17)15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyOTUAPQMAJFSQOO-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.32
Rot. Bonds5

About 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide

2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide (PubChem CID 81318090) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
PubChem CID81318090
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccccc1CN)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(12(14)17)15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyOTUAPQMAJFSQOO-UHFFFAOYSA-N
XLogP-0.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
methyl 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-methylbutanoate
CID 81321719
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
CID 81322254
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide (CID 81318090) is 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide is CC(NC(=O)Cc1ccccc1CN)C(N)=O.
What is the InChIKey of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide?
The InChIKey is OTUAPQMAJFSQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(12(14)17)15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide?
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 81318090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).