4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C10H19NO5 — CID 103498512

IUPAC4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCC(O)CNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-6(7(2)10(14)15)9(13)11-4-8(12)5-16-3/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeySBDPGQXGOFQQTM-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.53
Rot. Bonds7

About 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498512) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498512
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCC(O)CNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-6(7(2)10(14)15)9(13)11-4-8(12)5-16-3/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeySBDPGQXGOFQQTM-UHFFFAOYSA-N
XLogP-0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762
2-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 116678033
(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
CID 97236810
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
N-(2,3-dihydroxypropyl)-2-methoxypropanamide
CID 115749574
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498512) is 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid is COCC(O)CNC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is SBDPGQXGOFQQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6(7(2)10(14)15)9(13)11-4-8(12)5-16-3/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).