tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate

C13H23NO3 — CID 81004307

IUPACtert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
SMILESCC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C13H23NO3/c1-8(10-6-7-10)11(15)14-9(2)12(16)17-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyPCANQNOTWGOXBA-YGPZHTELSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds4

About tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate

tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate (PubChem CID 81004307) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
PubChem CID81004307
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
SMILESCC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C13H23NO3/c1-8(10-6-7-10)11(15)14-9(2)12(16)17-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyPCANQNOTWGOXBA-YGPZHTELSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate (CID 81004307) is tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate is CC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate?
The InChIKey is PCANQNOTWGOXBA-YGPZHTELSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(10-6-7-10)11(15)14-9(2)12(16)17-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate?
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate is sourced from PubChem (CID 81004307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).