methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate

C12H22N2O3 — CID 103251173

IUPACmethyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
SMILESCOC(=O)C(CNC(C)CC1CC1)NC(C)=O
InChIInChI=1S/C12H22N2O3/c1-8(6-10-4-5-10)13-7-11(12(16)17-3)14-9(2)15/h8,10-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHRHVAWGGOWQUAE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds7

About methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate

methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate (PubChem CID 103251173) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
PubChem CID103251173
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
SMILESCOC(=O)C(CNC(C)CC1CC1)NC(C)=O
InChIInChI=1S/C12H22N2O3/c1-8(6-10-4-5-10)13-7-11(12(16)17-3)14-9(2)15/h8,10-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHRHVAWGGOWQUAE-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628336
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 103253399
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
CID 103262789
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
1-cyclopropyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63989699
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
methyl 2-acetamido-3-(1-thiophen-3-ylpropan-2-ylamino)propanoate
CID 103246488
methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
CID 103243768
methyl 2-acetamido-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propanoate
CID 103254230
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate (CID 103251173) is methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate is COC(=O)C(CNC(C)CC1CC1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate?
The InChIKey is HRHVAWGGOWQUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(6-10-4-5-10)13-7-11(12(16)17-3)14-9(2)15/h8,10-11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate?
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate is sourced from PubChem (CID 103251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).