carbamoyl 3-phenylpropanoate

C10H11NO3 — CID 56614916

IUPACcarbamoyl 3-phenylpropanoate
SMILESNC(=O)OC(=O)CCc1ccccc1
InChIInChI=1S/C10H11NO3/c11-10(13)14-9(12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
InChIKeyBYRSJGMMSUAULO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds3

About carbamoyl 3-phenylpropanoate

carbamoyl 3-phenylpropanoate (PubChem CID 56614916) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is carbamoyl 3-phenylpropanoate.

Molecular Properties

Compound Namecarbamoyl 3-phenylpropanoate
PubChem CID56614916
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namecarbamoyl 3-phenylpropanoate
SMILESNC(=O)OC(=O)CCc1ccccc1
InChIInChI=1S/C10H11NO3/c11-10(13)14-9(12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
InChIKeyBYRSJGMMSUAULO-UHFFFAOYSA-N
XLogP1.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
propanoyl 3-phenylpropanoate
CID 19437711
1-O-benzyl 12-O-carbamoyl dodecanedioate
CID 159562701
3-phenylpropanoyl (2S)-2-amino-3-phenylpropanoate
CID 90751504
azane;benzyl 3-phenylpropanoate
CID 175136325
carbonic acid;3-phenylpropanamide
CID 174965682
carbamoyl 3-(2-chlorophenyl)propanoate
CID 174469529
3-phenylpropanoyl 3-amino-3-phenylpropanoate
CID 174426810
2-bromoethyl 3-phenylpropanoate
CID 101450584
2-chloroethyl 3-phenylpropanoate
CID 13096483
benzamide;methyl 3-phenylpropanoate
CID 154677392
carbanide;3-phenylpropanamide;yttrium
CID 160557542

Frequently Asked Questions

What is the IUPAC name of carbamoyl 3-phenylpropanoate?
The IUPAC name of carbamoyl 3-phenylpropanoate (CID 56614916) is carbamoyl 3-phenylpropanoate.
What is the SMILES notation for carbamoyl 3-phenylpropanoate?
The canonical SMILES for carbamoyl 3-phenylpropanoate is NC(=O)OC(=O)CCc1ccccc1.
What is the InChIKey of carbamoyl 3-phenylpropanoate?
The InChIKey is BYRSJGMMSUAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-10(13)14-9(12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13).
What are the key properties of carbamoyl 3-phenylpropanoate?
carbamoyl 3-phenylpropanoate has a molecular weight of 193.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 3-phenylpropanoate is sourced from PubChem (CID 56614916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).