3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid

C9H19NO4 — CID 103254849

IUPAC3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
SMILESCOCCC(C)NC(COC)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(4-5-13-2)10-8(6-14-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBGOMEVEMUDXDF-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.10
Rot. Bonds8

About 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid

3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid (PubChem CID 103254849) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
PubChem CID103254849
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
SMILESCOCCC(C)NC(COC)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(4-5-13-2)10-8(6-14-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBGOMEVEMUDXDF-UHFFFAOYSA-N
XLogP0.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
CID 107828090
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
CID 103245081
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid (CID 103254849) is 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid is COCCC(C)NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid?
The InChIKey is CBGOMEVEMUDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(4-5-13-2)10-8(6-14-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid?
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid is sourced from PubChem (CID 103254849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).