3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid

C13H17N3O5 — CID 66174600

IUPAC3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C(NC(N)=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-13(21,11(18)19)7-15-10(17)9(16-12(14)20)8-5-3-2-4-6-8/h2-6,9,21H,7H2,1H3,(H,15,17)(H,18,19)(H3,14,16,20)
InChIKeyMKSWBENIJORUHR-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.65
Rot. Bonds6

About 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174600) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174600
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C(NC(N)=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-13(21,11(18)19)7-15-10(17)9(16-12(14)20)8-5-3-2-4-6-8/h2-6,9,21H,7H2,1H3,(H,15,17)(H,18,19)(H3,14,16,20)
InChIKeyMKSWBENIJORUHR-UHFFFAOYSA-N
XLogP-0.65
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
2-(carbamoylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 106181018
2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
(2S)-2-[[2-(carbamoylamino)-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 61136132

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66174600) is 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C(NC(N)=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MKSWBENIJORUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-13(21,11(18)19)7-15-10(17)9(16-12(14)20)8-5-3-2-4-6-8/h2-6,9,21H,7H2,1H3,(H,15,17)(H,18,19)(H3,14,16,20).
What are the key properties of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 295.30 g/mol, XLogP of -0.65, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).