3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid

C10H21NO4 — CID 103254061

IUPAC3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
SMILESCOCC(NCC(O)CC(=O)O)C(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)9(6-15-3)11-5-8(12)4-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyABQWKAMRQSPVFX-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.08
Rot. Bonds8

About 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid

3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid (PubChem CID 103254061) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
PubChem CID103254061
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
SMILESCOCC(NCC(O)CC(=O)O)C(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)9(6-15-3)11-5-8(12)4-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyABQWKAMRQSPVFX-UHFFFAOYSA-N
XLogP0.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
(3S)-4-[[2-(ethylamino)-3-methoxypropyl]amino]-3-hydroxybutanoic acid
CID 170227512
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
(3S,4S)-4-acetamido-5-methoxy-3-methylpentanoic acid
CID 97304447

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid (CID 103254061) is 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid is COCC(NCC(O)CC(=O)O)C(C)C.
What is the InChIKey of 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid?
The InChIKey is ABQWKAMRQSPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7(2)9(6-15-3)11-5-8(12)4-10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid?
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid is sourced from PubChem (CID 103254061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).