4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid

C14H30N2O3 — CID 63054650

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(CCOC)C(C)CC)C(=O)O
InChIInChI=1S/C14H30N2O3/c1-5-8-15-13(14(17)18)7-9-16(10-11-19-4)12(3)6-2/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyYLKOEHYHHFRNEP-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.58
Rot. Bonds12

About 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid

4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid (PubChem CID 63054650) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
PubChem CID63054650
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(CCOC)C(C)CC)C(=O)O
InChIInChI=1S/C14H30N2O3/c1-5-8-15-13(14(17)18)7-9-16(10-11-19-4)12(3)6-2/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyYLKOEHYHHFRNEP-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
CID 64825577
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid (CID 63054650) is 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid is CCCNC(CCN(CCOC)C(C)CC)C(=O)O.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid?
The InChIKey is YLKOEHYHHFRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-5-8-15-13(14(17)18)7-9-16(10-11-19-4)12(3)6-2/h12-13,15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid?
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid has a molecular weight of 274.40 g/mol, XLogP of 1.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid is sourced from PubChem (CID 63054650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).