tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate

C15H22N2O3 — CID 115539468

IUPACtert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
SMILESCCNC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16-14(19)17-12(11-9-7-6-8-10-11)13(18)20-15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyPQZQEHHETIWLHW-LBPRGKRZSA-N
MW278.35 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate

tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate (PubChem CID 115539468) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
PubChem CID115539468
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
SMILESCCNC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16-14(19)17-12(11-9-7-6-8-10-11)13(18)20-15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyPQZQEHHETIWLHW-LBPRGKRZSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
CID 81005292
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl 2-[(3-amino-2-oxohexanoyl)amino]-2-phenylacetate
CID 70838359
tert-butyl (2R)-2-(3-methylbut-2-enoylamino)-2-phenylacetate
CID 80997776
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
CID 122135691
2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976998
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopropylacetyl)amino]-2-phenylacetyl]amino]-2-phenylacetate
CID 140999655
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093
tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoyl]amino]-2-phenylacetate
CID 139880900

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate?
The IUPAC name of tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate (CID 115539468) is tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate.
What is the SMILES notation for tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate?
The canonical SMILES for tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate is CCNC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate?
The InChIKey is PQZQEHHETIWLHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-14(19)17-12(11-9-7-6-8-10-11)13(18)20-15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate?
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate has a molecular weight of 278.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate is sourced from PubChem (CID 115539468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).