3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid

C9H19NO4 — CID 103254890

IUPAC3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
SMILESCOCCC(C)NCC(O)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-7(3-4-14-2)10-6-8(11)5-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAXJINCIBEOJWDK-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.16
Rot. Bonds8

About 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid

3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid (PubChem CID 103254890) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
PubChem CID103254890
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
SMILESCOCCC(C)NCC(O)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-7(3-4-14-2)10-6-8(11)5-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAXJINCIBEOJWDK-UHFFFAOYSA-N
XLogP-0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid?
The IUPAC name of 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid (CID 103254890) is 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid is COCCC(C)NCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid?
The InChIKey is AXJINCIBEOJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(3-4-14-2)10-6-8(11)5-9(12)13/h7-8,10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid?
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid is sourced from PubChem (CID 103254890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).