tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate

C16H24N2O3 — CID 81028212

IUPACtert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(15(20)21-16(2,3)4)17-14(19)12-8-7-9-13(10-12)18(5)6/h7-11H,1-6H3,(H,17,19)/t11-/m1/s1
InChIKeyQXZCCCSTCMNZNG-LLVKDONJSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate

tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate (PubChem CID 81028212) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
PubChem CID81028212
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(15(20)21-16(2,3)4)17-14(19)12-8-7-9-13(10-12)18(5)6/h7-11H,1-6H3,(H,17,19)/t11-/m1/s1
InChIKeyQXZCCCSTCMNZNG-LLVKDONJSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate (CID 81028212) is tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate is C[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate?
The InChIKey is QXZCCCSTCMNZNG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(15(20)21-16(2,3)4)17-14(19)12-8-7-9-13(10-12)18(5)6/h7-11H,1-6H3,(H,17,19)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate?
tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 81028212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).