2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid

C14H21N3O3 — CID 62940465

IUPAC2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(N(CC(=O)O)CC2CC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(2)7-16-6-5-15-13(14(16)20)17(9-12(18)19)8-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyYHGNNMZQUOCRGF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds7

About 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid

2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (PubChem CID 62940465) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
PubChem CID62940465
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(N(CC(=O)O)CC2CC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(2)7-16-6-5-15-13(14(16)20)17(9-12(18)19)8-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyYHGNNMZQUOCRGF-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (CID 62940465) is 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is CC(C)Cn1ccnc(N(CC(=O)O)CC2CC2)c1=O.
What is the InChIKey of 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The InChIKey is YHGNNMZQUOCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)7-16-6-5-15-13(14(16)20)17(9-12(18)19)8-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is sourced from PubChem (CID 62940465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).