2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid

C11H18N2O2 — CID 65496533

IUPAC2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1(CC#N)CC1
InChIInChI=1S/C11H18N2O2/c1-9(2)13(7-10(14)15)8-11(3-4-11)5-6-12/h9H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyNLGLTCPMACTMOA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.48
Rot. Bonds6

About 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid

2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid (PubChem CID 65496533) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
PubChem CID65496533
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1(CC#N)CC1
InChIInChI=1S/C11H18N2O2/c1-9(2)13(7-10(14)15)8-11(3-4-11)5-6-12/h9H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyNLGLTCPMACTMOA-UHFFFAOYSA-N
XLogP1.48
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid (CID 65496533) is 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC1(CC#N)CC1.
What is the InChIKey of 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid?
The InChIKey is NLGLTCPMACTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)13(7-10(14)15)8-11(3-4-11)5-6-12/h9H,3-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid?
2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid has a molecular weight of 210.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65496533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).