2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide

C8H16N2O2 — CID 114617067

IUPAC2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(N)COC
InChIInChI=1S/C8H16N2O2/c1-6(2)4-10-8(11)7(9)5-12-3/h7H,1,4-5,9H2,2-3H3,(H,10,11)
InChIKeyNKQCIPVKLUYLDY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.35
Rot. Bonds5

About 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide

2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide (PubChem CID 114617067) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
PubChem CID114617067
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(N)COC
InChIInChI=1S/C8H16N2O2/c1-6(2)4-10-8(11)7(9)5-12-3/h7H,1,4-5,9H2,2-3H3,(H,10,11)
InChIKeyNKQCIPVKLUYLDY-UHFFFAOYSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
CID 142050600
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide (CID 114617067) is 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)C(N)COC.
What is the InChIKey of 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is NKQCIPVKLUYLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)4-10-8(11)7(9)5-12-3/h7H,1,4-5,9H2,2-3H3,(H,10,11).
What are the key properties of 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide?
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 114617067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).