3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid

C8H15NO3 — CID 103263977

IUPAC3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
SMILESCOCC(NC1(C)CC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(3-4-8)9-6(5-12-2)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZNNINCIZTNDIOB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds5

About 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid

3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid (PubChem CID 103263977) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
PubChem CID103263977
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
SMILESCOCC(NC1(C)CC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(3-4-8)9-6(5-12-2)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZNNINCIZTNDIOB-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
CID 103257016
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid (CID 103263977) is 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid is COCC(NC1(C)CC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid?
The InChIKey is ZNNINCIZTNDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(3-4-8)9-6(5-12-2)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid?
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 103263977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).