3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide

C12H16N4O4 — CID 106165291

IUPAC3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)NC(C(=O)NCC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C12H16N4O4/c13-10(18)8(17)6-15-11(19)9(16-12(14)20)7-4-2-1-3-5-7/h1-5,8-9,17H,6H2,(H2,13,18)(H,15,19)(H3,14,16,20)
InChIKeyUTDGXSHTHCDDPH-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.64
Rot. Bonds6

About 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide

3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide (PubChem CID 106165291) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
PubChem CID106165291
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)NC(C(=O)NCC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C12H16N4O4/c13-10(18)8(17)6-15-11(19)9(16-12(14)20)7-4-2-1-3-5-7/h1-5,8-9,17H,6H2,(H2,13,18)(H,15,19)(H3,14,16,20)
InChIKeyUTDGXSHTHCDDPH-UHFFFAOYSA-N
XLogP-1.64
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide (CID 106165291) is 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide is NC(=O)NC(C(=O)NCC(O)C(N)=O)c1ccccc1.
What is the InChIKey of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide?
The InChIKey is UTDGXSHTHCDDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-10(18)8(17)6-15-11(19)9(16-12(14)20)7-4-2-1-3-5-7/h1-5,8-9,17H,6H2,(H2,13,18)(H,15,19)(H3,14,16,20).
What are the key properties of 3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide?
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide has a molecular weight of 280.28 g/mol, XLogP of -1.64, 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-hydroxypropanamide is sourced from PubChem (CID 106165291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).