methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate

C11H20N2O3 — CID 119709040

IUPACmethyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
SMILESCCC(NC(=O)CNCC1CC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)13-10(14)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVOBMVCLLBZQMFK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds7

About methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate

methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate (PubChem CID 119709040) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
PubChem CID119709040
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
SMILESCCC(NC(=O)CNCC1CC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)13-10(14)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVOBMVCLLBZQMFK-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate?
The IUPAC name of methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate (CID 119709040) is methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate?
The canonical SMILES for methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate is CCC(NC(=O)CNCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate?
The InChIKey is VOBMVCLLBZQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)13-10(14)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate?
methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate is sourced from PubChem (CID 119709040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).