(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid

C9H18N2O4 — CID 104864074

IUPAC(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)C(C)(C)CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(7(13)14)10-8(15)11(4)9(2,3)5-12/h6,12H,5H2,1-4H3,(H,10,15)(H,13,14)/t6-/m1/s1
InChIKeySTYUYFRLEODGOI-ZCFIWIBFSA-N
MW218.25 g/mol
LogP-0.13
Rot. Bonds4

About (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid

(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid (PubChem CID 104864074) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
PubChem CID104864074
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)C(C)(C)CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(7(13)14)10-8(15)11(4)9(2,3)5-12/h6,12H,5H2,1-4H3,(H,10,15)(H,13,14)/t6-/m1/s1
InChIKeySTYUYFRLEODGOI-ZCFIWIBFSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
CID 104864077
(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(3S)-3-[[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]methyl]-5-methylhexanoic acid
CID 104864057
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
2-acetamido-N-(1-hydroxy-2-methylpropan-2-yl)-N,3-dimethylbutanamide
CID 113476033
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82041814
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55003903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid (CID 104864074) is (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid is C[C@@H](NC(=O)N(C)C(C)(C)CO)C(=O)O.
What is the InChIKey of (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The InChIKey is STYUYFRLEODGOI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(7(13)14)10-8(15)11(4)9(2,3)5-12/h6,12H,5H2,1-4H3,(H,10,15)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 104864074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).