(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid

C9H17NO4 — CID 103926507

IUPAC(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCOCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)7(8(12)13)10-6(11)5-14-4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyDTVCWYVDLVAPIG-ZETCQYMHSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds4

About (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103926507) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103926507
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCOCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)7(8(12)13)10-6(11)5-14-4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyDTVCWYVDLVAPIG-ZETCQYMHSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyacetyl)amino]-3-methyl-3-sulfanylbutanoic acid
CID 16775534
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
CID 43467501

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid (CID 103926507) is (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid is COCC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is DTVCWYVDLVAPIG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)7(8(12)13)10-6(11)5-14-4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).