tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate

C16H22N2O3 — CID 115539461

IUPACtert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
SMILESCC(C)(C)OC(=O)[C@H](NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)13(11-7-5-4-6-8-11)18-15(20)17-12-9-10-12/h4-8,12-13H,9-10H2,1-3H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyNRQMEZUVWYVGPM-CYBMUJFWSA-N
MW290.36 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate

tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate (PubChem CID 115539461) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
PubChem CID115539461
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
SMILESCC(C)(C)OC(=O)[C@H](NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)13(11-7-5-4-6-8-11)18-15(20)17-12-9-10-12/h4-8,12-13H,9-10H2,1-3H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyNRQMEZUVWYVGPM-CYBMUJFWSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
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
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
tert-butyl (2R)-2-(3-methylbut-2-enoylamino)-2-phenylacetate
CID 80997776
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999
tert-butyl piperazine-1-carboxylate;1-cyclopentyl-3-[(1S)-1,2-diphenylethyl]urea
CID 143935484
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopentylacetyl)amino]propanoyl]amino]-2-phenylacetate
CID 142643331
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate?
The IUPAC name of tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate (CID 115539461) is tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate.
What is the SMILES notation for tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate?
The canonical SMILES for tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate is CC(C)(C)OC(=O)[C@H](NC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate?
The InChIKey is NRQMEZUVWYVGPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)13(11-7-5-4-6-8-11)18-15(20)17-12-9-10-12/h4-8,12-13H,9-10H2,1-3H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate?
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate has a molecular weight of 290.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate is sourced from PubChem (CID 115539461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).