2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid

C14H22N2O3 — CID 43442514

IUPAC2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c1-15(10-14(18)19)9-13(17)16(12-7-8-12)11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,18,19)
InChIKeyPQAYYASBRMBHDK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds6

About 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442514) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442514
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c1-15(10-14(18)19)9-13(17)16(12-7-8-12)11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,18,19)
InChIKeyPQAYYASBRMBHDK-UHFFFAOYSA-N
XLogP1.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442514) is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is PQAYYASBRMBHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15(10-14(18)19)9-13(17)16(12-7-8-12)11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).