2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid

C10H20N2O3 — CID 103250208

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
SMILESCOCC(NCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-12(8-3-4-8)6-5-11-9(7-15-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyWQLDMINNLZPUBE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.23
Rot. Bonds8

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid

2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid (PubChem CID 103250208) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
PubChem CID103250208
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
SMILESCOCC(NCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-12(8-3-4-8)6-5-11-9(7-15-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyWQLDMINNLZPUBE-UHFFFAOYSA-N
XLogP-0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylpropanamide
CID 62976125
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid (CID 103250208) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid is COCC(NCCN(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid?
The InChIKey is WQLDMINNLZPUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(8-3-4-8)6-5-11-9(7-15-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103250208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).