3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid

C8H17NO3 — CID 43538400

IUPAC3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
SMILESCOCC(C)NCC(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(8(10)11)4-9-7(2)5-12-3/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyLFICKDXSTOCLFL-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.33
Rot. Bonds6

About 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid

3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid (PubChem CID 43538400) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
PubChem CID43538400
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
SMILESCOCC(C)NCC(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(8(10)11)4-9-7(2)5-12-3/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyLFICKDXSTOCLFL-UHFFFAOYSA-N
XLogP0.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
CID 43538632
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
azane;4-methoxy-2-methylbutanoic acid
CID 174560200

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid (CID 43538400) is 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid is COCC(C)NCC(C)C(=O)O.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The InChIKey is LFICKDXSTOCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(8(10)11)4-9-7(2)5-12-3/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 43538400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).