(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid

C9H18N2O5 — CID 104864077

IUPAC(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
SMILESCN(C(=O)N[C@H](CO)C(=O)O)C(C)(C)CO
InChIInChI=1S/C9H18N2O5/c1-9(2,5-13)11(3)8(16)10-6(4-12)7(14)15/h6,12-13H,4-5H2,1-3H3,(H,10,16)(H,14,15)/t6-/m1/s1
InChIKeyQNSCARQAODGQPU-ZCFIWIBFSA-N
MW234.25 g/mol
LogP-1.16
Rot. Bonds5

About (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid (PubChem CID 104864077) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
PubChem CID104864077
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
SMILESCN(C(=O)N[C@H](CO)C(=O)O)C(C)(C)CO
InChIInChI=1S/C9H18N2O5/c1-9(2,5-13)11(3)8(16)10-6(4-12)7(14)15/h6,12-13H,4-5H2,1-3H3,(H,10,16)(H,14,15)/t6-/m1/s1
InChIKeyQNSCARQAODGQPU-ZCFIWIBFSA-N
XLogP-1.16
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
CID 104864074
(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 80757694
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
(2R)-2-[bis(3-methylbutyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107870556
(2S)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55005844
(2R)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 80757790
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid (CID 104864077) is (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid is CN(C(=O)N[C@H](CO)C(=O)O)C(C)(C)CO.
What is the InChIKey of (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
The InChIKey is QNSCARQAODGQPU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-9(2,5-13)11(3)8(16)10-6(4-12)7(14)15/h6,12-13H,4-5H2,1-3H3,(H,10,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid has a molecular weight of 234.25 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 104864077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).