(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid

C8H16N2O5 — CID 80757694

IUPAC(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
SMILESCC(O)CN(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-5(12)3-10(2)8(15)9-6(4-11)7(13)14/h5-6,11-12H,3-4H2,1-2H3,(H,9,15)(H,13,14)/t5?,6-/m1/s1
InChIKeyKUKASLZXQXSFDY-PRJDIBJQSA-N
MW220.22 g/mol
LogP-1.55
Rot. Bonds5

About (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 80757694) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID80757694
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
SMILESCC(O)CN(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-5(12)3-10(2)8(15)9-6(4-11)7(13)14/h5-6,11-12H,3-4H2,1-2H3,(H,9,15)(H,13,14)/t5?,6-/m1/s1
InChIKeyKUKASLZXQXSFDY-PRJDIBJQSA-N
XLogP-1.55
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409
(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
CID 104864077
(2R)-2-[bis(3-methylbutyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107870556
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid (CID 80757694) is (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid is CC(O)CN(C)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is KUKASLZXQXSFDY-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-5(12)3-10(2)8(15)9-6(4-11)7(13)14/h5-6,11-12H,3-4H2,1-2H3,(H,9,15)(H,13,14)/t5?,6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 220.22 g/mol, XLogP of -1.55, 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-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 80757694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).