propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate

C11H21NO3 — CID 112723780

IUPACpropan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate
SMILESCC(C)OC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)15-9(13)6-7-12-10(14)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyXNSLCLPNZRLEPD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds4

About propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate

propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 112723780) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate
PubChem CID112723780
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate
SMILESCC(C)OC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)15-9(13)6-7-12-10(14)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyXNSLCLPNZRLEPD-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
butan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 544422
(E)-2,3-bis[2-(2,2-dimethylpropanoylamino)ethyl]but-2-enedioic acid
CID 126482920
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
CID 80998758
2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide
CID 19380004
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
propan-2-yl 3-(2-aminopropylamino)propanoate
CID 54006128
propan-2-yl 4-(methoxycarbonylamino)butanoate
CID 14940599
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
prop-2-enyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 78838677
propan-2-yl 3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]propanoate;hydroiodide
CID 110944771

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate (CID 112723780) is propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate is CC(C)OC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is XNSLCLPNZRLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)15-9(13)6-7-12-10(14)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate?
propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 112723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).