(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid

C9H18N2O4 — CID 103930250

IUPAC(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)C(N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(10)7(13)11-5(4-12)8(14)15/h5-6,12H,4,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6?/m1/s1
InChIKeyOICGDBOOWNNCKH-LWOQYNTDSA-N
MW218.25 g/mol
LogP-1.08
Rot. Bonds4

About (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 103930250) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
PubChem CID103930250
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)C(N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(10)7(13)11-5(4-12)8(14)15/h5-6,12H,4,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6?/m1/s1
InChIKeyOICGDBOOWNNCKH-LWOQYNTDSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-[[2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 23424270
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
(2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103929543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid (CID 103930250) is (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid is CC(C)(C)C(N)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is OICGDBOOWNNCKH-LWOQYNTDSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)6(10)7(13)11-5(4-12)8(14)15/h5-6,12H,4,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 103930250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).