2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid

C11H17N3O2 — CID 61235699

IUPAC2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
SMILESCCc1cc(N(CC(=O)O)C(C)C)ncn1
InChIInChI=1S/C11H17N3O2/c1-4-9-5-10(13-7-12-9)14(8(2)3)6-11(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16)
InChIKeyVPAPQVMUDQMNHX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.34
Rot. Bonds5

About 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid

2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid (PubChem CID 61235699) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
PubChem CID61235699
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
SMILESCCc1cc(N(CC(=O)O)C(C)C)ncn1
InChIInChI=1S/C11H17N3O2/c1-4-9-5-10(13-7-12-9)14(8(2)3)6-11(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16)
InChIKeyVPAPQVMUDQMNHX-UHFFFAOYSA-N
XLogP1.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid (CID 61235699) is 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid is CCc1cc(N(CC(=O)O)C(C)C)ncn1.
What is the InChIKey of 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The InChIKey is VPAPQVMUDQMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-9-5-10(13-7-12-9)14(8(2)3)6-11(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid?
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61235699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).