2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide

C12H19N3O2 — CID 103257726

IUPAC2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1[C@@H](C)NCC(N)C(N)=O
InChIInChI=1S/C12H19N3O2/c1-8(15-7-10(13)12(14)16)9-5-3-4-6-11(9)17-2/h3-6,8,10,15H,7,13H2,1-2H3,(H2,14,16)/t8-,10?/m1/s1
InChIKeyPINLXZBYVAHQEI-HNHGDDPOSA-N
MW237.30 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide

2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 103257726) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
PubChem CID103257726
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1[C@@H](C)NCC(N)C(N)=O
InChIInChI=1S/C12H19N3O2/c1-8(15-7-10(13)12(14)16)9-5-3-4-6-11(9)17-2/h3-6,8,10,15H,7,13H2,1-2H3,(H2,14,16)/t8-,10?/m1/s1
InChIKeyPINLXZBYVAHQEI-HNHGDDPOSA-N
XLogP0.16
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
2-acetamido-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanoic acid
CID 81387678
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide (CID 103257726) is 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide is COc1ccccc1[C@@H](C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is PINLXZBYVAHQEI-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(15-7-10(13)12(14)16)9-5-3-4-6-11(9)17-2/h3-6,8,10,15H,7,13H2,1-2H3,(H2,14,16)/t8-,10?/m1/s1.
What are the key properties of 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 103257726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).