(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate

C18H19N3O5 — CID 8008898

IUPAC(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
SMILESNC(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H19N3O5/c19-16(22)11-25-17(23)10-15(21-18(20)24)12-5-4-8-14(9-12)26-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,22)(H3,20,21,24)/t15-/m1/s1
InChIKeyXZKVCWSQOJJJFB-OAHLLOKOSA-N
MW357.37 g/mol
LogP1.61
Rot. Bonds8

About (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate

(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate (PubChem CID 8008898) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
PubChem CID8008898
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
SMILESNC(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H19N3O5/c19-16(22)11-25-17(23)10-15(21-18(20)24)12-5-4-8-14(9-12)26-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,22)(H3,20,21,24)/t15-/m1/s1
InChIKeyXZKVCWSQOJJJFB-OAHLLOKOSA-N
XLogP1.61
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8610074
[2-(4-chlorophenyl)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 2401781
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 40940484
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 29347337
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The IUPAC name of (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate (CID 8008898) is (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate is NC(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The InChIKey is XZKVCWSQOJJJFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O5/c19-16(22)11-25-17(23)10-15(21-18(20)24)12-5-4-8-14(9-12)26-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,22)(H3,20,21,24)/t15-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate has a molecular weight of 357.37 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate is sourced from PubChem (CID 8008898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).