4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid

C12H24N2O3 — CID 55145476

IUPAC4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
SMILESCCNC(CCN(CCOC)C1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-13-11(12(15)16)6-7-14(8-9-17-2)10-4-5-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyVGFJKANOOKWQPF-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds10

About 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid

4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid (PubChem CID 55145476) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
PubChem CID55145476
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
SMILESCCNC(CCN(CCOC)C1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-13-11(12(15)16)6-7-14(8-9-17-2)10-4-5-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyVGFJKANOOKWQPF-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
3-[cyclopropyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63583449

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid (CID 55145476) is 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid is CCNC(CCN(CCOC)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid?
The InChIKey is VGFJKANOOKWQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-13-11(12(15)16)6-7-14(8-9-17-2)10-4-5-10/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid?
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid is sourced from PubChem (CID 55145476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).