(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid

C8H16N2O4 — CID 104553103

IUPAC(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
SMILESCC(CO)N(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(4-11)10(3)8(14)9-6(2)7(12)13/h5-6,11H,4H2,1-3H3,(H,9,14)(H,12,13)/t5?,6-/m1/s1
InChIKeyHWUQZJMGWGGMMX-PRJDIBJQSA-N
MW204.23 g/mol
LogP-0.52
Rot. Bonds4

About (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid

(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 104553103) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
PubChem CID104553103
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
SMILESCC(CO)N(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(4-11)10(3)8(14)9-6(2)7(12)13/h5-6,11H,4H2,1-3H3,(H,9,14)(H,12,13)/t5?,6-/m1/s1
InChIKeyHWUQZJMGWGGMMX-PRJDIBJQSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828909
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
(2R)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828905
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553125
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910575
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid (CID 104553103) is (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid is CC(CO)N(C)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is HWUQZJMGWGGMMX-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5(4-11)10(3)8(14)9-6(2)7(12)13/h5-6,11H,4H2,1-3H3,(H,9,14)(H,12,13)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 104553103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).