2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid

C9H17NO5 — CID 103018889

IUPAC2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCOC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17NO5/c1-8(2,15-4)6(11)10-5-9(3,14)7(12)13/h14H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyOFYNNZXHWOVVKQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.64
Rot. Bonds5

About 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 103018889) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID103018889
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCOC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17NO5/c1-8(2,15-4)6(11)10-5-9(3,14)7(12)13/h14H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyOFYNNZXHWOVVKQ-UHFFFAOYSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
N-(2-amino-2-ethylbutyl)-2-methoxy-2-methylpropanamide
CID 103021621
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-(prop-2-ynoylamino)propanoic acid
CID 66173410
N-(2,2-dimethoxyethyl)-2-methoxy-2-methylpropanamide
CID 103020556

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 103018889) is 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid is COC(C)(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is OFYNNZXHWOVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-8(2,15-4)6(11)10-5-9(3,14)7(12)13/h14H,5H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 103018889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).